Crystallography Open Database

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4510221 CIFC22 H29 N3 O3P 1 21/c 111.477; 20.657; 10.078
90; 113.922; 90
2184.1Ma, Guan-Hua; Tu, Xing-Jun; Ning, Yi; Jiang, Bo; Tu, Shu-Jiang
Efficient Domino Strategy for the Synthesis of Polyfunctionalized Benzofuran-4(5H)-ones and Cinnoline-4-carboxamides.
ACS combinatorial science, 2014, 16, 281-286
4510270 CIFC34 H28 N2 O5P 1 21/c 18.3089; 16.1429; 20.651
90; 100.411; 90
2724.3Fu, Lei; Lin, Wei; Hu, Ming-Hua; Liu, Xue-Cheng; Huang, Zhi-Bin; Shi, Da-Qing
Efficient Synthesis of Functionalized Benzo[b][1,8]naphthyridine Derivatives via Three-Component Reaction Catalyzed by l-Proline.
ACS combinatorial science, 2014, 16, 238
4510602 CIFC21 H17 N O3 SP 439.8991; 9.8991; 19.413
90; 90; 90
1902.3Zhang, Yongqiang; Wang, Shengzheng; Wu, Shanchao; Zhu, Shiping; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan; Wang, Wei
Facile construction of structurally diverse thiazolidinedione-derived compounds via divergent stereoselective cascade organocatalysis and their biological exploratory studies.
ACS combinatorial science, 2013, 15, 298-308
4510603 CIFC12 H12 N O2.5 S2P 1 21 111.1316; 7.8164; 14.689
90; 97.406; 90
1267.41Zhang, Yongqiang; Wang, Shengzheng; Wu, Shanchao; Zhu, Shiping; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan; Wang, Wei
Facile construction of structurally diverse thiazolidinedione-derived compounds via divergent stereoselective cascade organocatalysis and their biological exploratory studies.
ACS combinatorial science, 2013, 15, 298-308
4511893 CIFC19 H19 N3 O3P -18.7561; 9.8293; 10.7014
102.747; 100.48; 106.662
830.46Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Pereshivko, Olga P.; Van Hecke, Kristof; Zamigaylo, Lali L.; Van der Eycken, Erik V.; Gorobets, Nikolay Yu
Three-Component Reaction of a 2-Aminoazine, a 2-Oxoaldehyde, and a Cyclic 1,3-Dicarbonyl Compound for the Synthesis of Imidazo[1,2-a]azine Derivatives.
ACS combinatorial science, 2014, 16, 535-542
4511894 CIFC14 H16 N4 O4P -17.7985; 8.6433; 11.7773
88.318; 87.011; 63.972
712.35Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Pereshivko, Olga P.; Van Hecke, Kristof; Zamigaylo, Lali L.; Van der Eycken, Erik V.; Gorobets, Nikolay Yu
Three-Component Reaction of a 2-Aminoazine, a 2-Oxoaldehyde, and a Cyclic 1,3-Dicarbonyl Compound for the Synthesis of Imidazo[1,2-a]azine Derivatives.
ACS combinatorial science, 2014, 16, 535-542
4512194 CIFC22 H14 Cl2 N4P -16.8826; 9.9286; 14.9213
87.899; 79.461; 81.747
992Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda
Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.
ACS combinatorial science, 2014, 16, 606-613
4512195 CIFC18 H12 N4 S2P 1 21/c 19.9246; 19.2913; 9.2604
90; 115.353; 90
1602.22Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda
Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.
ACS combinatorial science, 2014, 16, 606-613
4512196 CIFC30 H26 N4 O2 SC 1 2/c 124.3833; 10.9507; 21.0261
90; 102.648; 90
5478Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda
Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.
ACS combinatorial science, 2014, 16, 606-613
4512197 CIFC28 H20 Cl2 N4 OP 1 21/c 111.1947; 6.8437; 31.9454
90; 99.735; 90
2412.2Das, Paramita; Chaudhuri, Tandrima; Mukhopadhyay, Chhanda
Pseudo-five-component domino strategy for the combinatorial library synthesis of [1,6] naphthyridines-an on-water approach.
ACS combinatorial science, 2014, 16, 606-613
4512423 CIFC18 H15 N O2P 1 21/c 115.516; 7.516; 12.331
90; 92.523; 90
1436.6Fu, Lei; Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Hu, Jun-Die; Zhang, Juan-Juan; Zhao, Yan-Wei; Huang, Zhi-Bin; Shi, Da-Qing
Efficient synthesis and evaluation of antitumor activities of novel functionalized 1,8-naphthyridine derivatives.
ACS combinatorial science, 2015, 17, 24-31
4512424 CIFC29 H33 N O4P 1 21/n 112.9044; 12.0994; 17.6179
90; 110.508; 90
2576.4Fu, Lei; Feng, Xian; Wang, Jian-Jun; Xun, Zhan; Hu, Jun-Die; Zhang, Juan-Juan; Zhao, Yan-Wei; Huang, Zhi-Bin; Shi, Da-Qing
Efficient synthesis and evaluation of antitumor activities of novel functionalized 1,8-naphthyridine derivatives.
ACS combinatorial science, 2015, 17, 24-31
4512591 CIFC22 H25 N4 O2P c c n16.1623; 17.5366; 13.8202
90; 90; 90
3917.1Selvaraju, Manikandan; Sun, Chung-Ming
Unprecedented one-pot chemocontrolled entry to thioxoimidazolidinones and aminoimidazolones: synthesis of kinase inhibitor leucettamine B.
ACS combinatorial science, 2015, 17, 182-189
4512592 CIFC18 H27 N3 O SP 1 21/c 113.1619; 11.2406; 25.1656
90; 101.799; 90
3644.5Selvaraju, Manikandan; Sun, Chung-Ming
Unprecedented one-pot chemocontrolled entry to thioxoimidazolidinones and aminoimidazolones: synthesis of kinase inhibitor leucettamine B.
ACS combinatorial science, 2015, 17, 182-189
4512676 CIFC17 H20 Br N3 O3 SP -16.9859; 8.9912; 15.1002
73.049; 81.912; 82.561
894.31Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen
Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.
ACS combinatorial science, 2015, 17, 202-207
4512677 CIFC20 H18 N2 O4 SP -19.3579; 13.4701; 14.2923
88.8035; 81.1389; 78.233
1742.56Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen
Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.
ACS combinatorial science, 2015, 17, 202-207
4512678 CIFC18 H21 N3 O4P 1 21/c 110.3503; 21.2485; 7.497
90; 92.7326; 90
1646.93Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen
Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.
ACS combinatorial science, 2015, 17, 202-207
4512679 CIFC14 H16 N2 O4 SP 1 21/n 110.8848; 9.6003; 14.2172
90; 108.411; 90
1409.62Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen
Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.
ACS combinatorial science, 2015, 17, 202-207
4512680 CIFC21 H28 N4 O6P -17.2339; 15.6981; 20.0319
73.025; 83.3904; 83.999
2155.2Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen
Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.
ACS combinatorial science, 2015, 17, 202-207
4512681 CIFC14 H16 N2 O4 SF d d 218.2043; 38.6789; 8.0104
90; 90; 90
5640.3Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen
Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones.
ACS combinatorial science, 2015, 17, 202-207
4513557 CIFC40 H36 N2 O4P 1 21/n 110.515; 13.418; 22.349
90; 94.899; 90
3141.7Mondal, Animesh; Mukhopadhyay, Chhanda
FeCl3-Catalyzed Combinatorial Synthesis of Functionalized Spiro[Indolo-3,10'-indeno [1,2-b]quinolin]-trione Derivatives.
ACS combinatorial science, 2015, 17, 404-408
4513558 CIFC23 H36 O5 SiC 1 2/c 135.945; 7.1685; 24.167
90; 130.561; 90
4730.9Chamakuri, Srinivas; Jogula, Srinvas; Arya, Prabhat
Regio- and Stereocontrolled Dieckmann Approach to Treprostinil-Inspired, Polycyclic Scaffold For Building Macrocyclic Diversity.
ACS combinatorial science, 2015, 17, 437-441
4513559 CIFC21 H13 Br N2P 21 21 214.1385; 17.8868; 20.726
90; 90; 90
1534.2Park, Sujin; Kwon, Dah In; Lee, Jeeyeon; Kim, Ikyon
When Indolizine Meets Quinoline: Diversity-Oriented Synthesis of New Polyheterocycles and Their Optical Properties.
ACS combinatorial science, 2015, 17, 459-469
4513621 CIFC26 H21 N3 O4P -110.983; 11.817; 18.748
75.62; 87.482; 64.662
2124.8Lee, Chia-Hsin; Wu, Wen-Chun; Dangate, Prasad S.; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming
Skeletally Diverse Synthesis of Innovative [2,1-c]-1,4-Oxazepine and [1,4]-Quinoxaline Systems.
ACS combinatorial science, 2015, 17, 623-630
4513622 CIFC37 H39 N5 O8P -18.1145; 14.457; 15.454
69.4; 79.555; 83.787
1666.9Lee, Chia-Hsin; Wu, Wen-Chun; Dangate, Prasad S.; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming
Skeletally Diverse Synthesis of Innovative [2,1-c]-1,4-Oxazepine and [1,4]-Quinoxaline Systems.
ACS combinatorial science, 2015, 17, 623-630
4513719 CIFC19 H20 O2 SP 1 21/c 116.054; 5.3498; 20.105
90; 106.442; 90
1656.1Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.
Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.
ACS combinatorial science, 2015, 17, 671-681
4513720 CIFC19 H20 O4 SP 1 21/c 15.446; 16.8784; 19.1283
90; 91.083; 90
1758Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.
Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.
ACS combinatorial science, 2015, 17, 671-681
4513721 CIFC23 H20 O4 SP 1 21/a 15.614; 32.096; 11.011
90; 101.47; 90
1944.4Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.
Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.
ACS combinatorial science, 2015, 17, 671-681
4513722 CIFC23 H20 O2 SP -15.5396; 10.8167; 17.091
72.01; 81.369; 78.119
949Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T.
Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents.
ACS combinatorial science, 2015, 17, 671-681
4513733 CIFC29 H21 N3 O2P -110.1264; 11.3087; 11.5564
67.874; 65.23; 83.135
1112Liao, Wen-Li; Li, Shi-Qiang; Wang, Jun; Zhang, Zhi-Yu; Yang, Zhi-Wei; Xu, Di; Xu, Chuan; Lan, Hai-Tao; Chen, Zhong-Zhu; Xu, Zhi-Gang
An Efficient and Facile Method for the Synthesis of Benzimidazoisoquinoline Derivatives via a Multicomponent Reaction.
ACS combinatorial science, 2016, 18, 65-69
4513859 CIFC23 H26 O3P 1 21/c 15.9268; 19.691; 16.257
90; 97.006; 90
1883.1Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming
A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones.
ACS combinatorial science, 2016, 18, 162-169
4513860 CIFC28 H31 N3 O3P -19.8984; 10.7623; 13.0612
72.798; 81.612; 70.559
1251.64Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming
A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones.
ACS combinatorial science, 2016, 18, 162-169
4513861 CIFC23 H28 O4I 41/a :220.7124; 20.7124; 36.593
90; 90; 90
15698.5Chen, Li-Hsun; Chung, Tsai-Wen; Narhe, Bharat D.; Sun, Chung-Ming
A Novel Mechanistic Study on Ultrasound-Assisted, One-Pot Synthesis of Functionalized Benzimidazo[2,1-b]quinazolin-1(1H)-ones.
ACS combinatorial science, 2016, 18, 162-169
4513896 CIFC20 H18 N4 OP -18.829; 9.7497; 11.1413
80.054; 72.419; 72.098
866.6Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith
Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles.
ACS combinatorial science, 2016, 18, 262-270
4513897 CIFC34 H27 Cl2 N5 O2P -114.3841; 14.7846; 16.9692
91.767; 96.391; 92.148
3581.5Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith
Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles.
ACS combinatorial science, 2016, 18, 262-270
4513898 CIFC17 H15 N3 OP 1 21/n 113.6926; 18.4002; 22.7816
90; 99.366; 90
5663.2Sumesh, Remani Vasudevan; Muthu, Muthumani; Almansour, Abdulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Athimoolam, S.; Jeya Yasmi Prabha, E. Arockia; Kumar, Raju Ranjith
Multicomponent Dipolar Cycloaddition Strategy: Combinatorial Synthesis of Novel Spiro-Tethered Pyrazolo[3,4-b]quinoline Hybrid Heterocycles.
ACS combinatorial science, 2016, 18, 262-270
4513909 CIFC17 H24 N2 O S3P 1 21/c 117.6665; 8.8044; 12.3437
90; 98.647; 90
1898.15Schlüter, Torben; Ziyaei Halimehjani, Azim; Wachtendorf, Daniel; Schmidtmann, Marc; Martens, Jürgen
Four-Component Reaction for the Synthesis of Dithiocarbamates Starting from Cyclic Imines.
ACS combinatorial science, 2016, 18, 456-460
4513913 CIFC11 H13 N3 O2 S2P 1 21/n 17.826; 9.969; 16.338
90; 98.843; 90
1259.5Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R.
High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors.
ACS combinatorial science, 2016
4513914 CIFC11 H13 N3 O2 S2P -16.3088; 9.4321; 11.166
92.623; 106.331; 105.543
609.02Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R.
High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors.
ACS combinatorial science, 2016
4513915 CIFC10 H13 N3 O2 S2P c a 2114.3612; 9.07325; 18.9809
90; 90; 90
2473.26Myers, Stephanie M.; Bawn, Ruth H.; Bisset, Louise C.; Blackburn, Timothy J.; Cottyn, Betty; Molyneux, Lauren; Wong, Ai-Ching; Cano, Celine; Clegg, William; Harrington, Ross W.; Leung, Hing; Rigoreau, Laurent; Vidot, Sandrine; Golding, Bernard T.; Griffin, Roger J.; Hammonds, Tim; Newell, David R.; Hardcastle, Ian R.
High-Throughput Screening and Hit Validation of Extracellular-Related Kinase 5 (ERK5) Inhibitors.
ACS combinatorial science, 2016
4513916 CIFC26 H32 N2 OP b c a8.7284; 19.229; 27.468
90; 90; 90
4610.2Zheng, Sichao; Zhong, Shufang; Chen, Zhipeng; Chen, Wenhua; Zhu, Qiuhua
Efficient Synthesis of a Series of Novel Octahydroquinazoline-5-ones via a Simple on-Water Urea-Catalyzed Chemoselective Five-Component Reaction.
ACS combinatorial science, 2016, 18, 475-481
4513937 CIFC25 H18 O3P 1 21/c 113.378; 9.446; 15.071
90; 99.42; 90
1878.8Dong, Haoxun; Xu, Lubin; Li, Shuai-Shuai; Wang, Liang; Shao, Chang-Lun; Xiao, Jian
Facile Synthesis of Azaarene-Substituted Hydroxycoumarins Possessing High Biological Activities via Three-Component C(sp(3))-H Functionalization.
ACS combinatorial science, 2016, 18, 604-610
4513957 CIFC24 H31 Cl2 N5 O2P 1 21/c 111.3607; 30.338; 8.2619
90; 102.399; 90
2781.1Londregan, Allyn T.; Piotrowski, David W.; Wei, Liuqing
Synthesis of Pyridazine-Based α-Helix Mimetics.
ACS combinatorial science, 2016, 18, 651-654
4513959 CIFC24 H28 N4 O2 SP 1 21/c 114.8222; 13.9414; 11.4583
90; 108.559; 90
2244.64Chen, Chan-Yu; Barve, Indrajeet J.; Sun, Chung-Ming
One-Pot Three-Component Synthesis of 2-Imino-1,3-Thiazolines on Soluble Ionic Liquid Support.
ACS combinatorial science, 2016, 18, 638-643
4514032 CIFC26 H32 N12 O2I 1 2/a 114.3819; 8.1017; 23.2784
90; 91.397; 90
2711.54Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander
Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.
ACS combinatorial science, 2017, 19, 193-198
4514033 CIFC9 H14 N6 OP 1 21/c 110.7348; 9.1446; 11.7753
90; 116.418; 90
1035.22Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander
Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.
ACS combinatorial science, 2017, 19, 193-198
4514034 CIFC16 H30 N6 O4P 1 21/c 122.7944; 7.5374; 12.1001
90; 102.072; 90
2032.95Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander
Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.
ACS combinatorial science, 2017, 19, 193-198
4514035 CIFC15 H26 N6 O4C 1 2/c 115.8975; 12.9679; 19.3594
90; 115.611; 90
3599Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander
Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.
ACS combinatorial science, 2017, 19, 193-198
4514036 CIFC15 H18 N6 OP 1 21/c 111.5427; 8.6359; 14.6147
90; 93.932; 90
1453.39Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander
Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.
ACS combinatorial science, 2017, 19, 193-198
4514144 CIFC15 H17 N5 OP 1 21/a 16.9311; 19.6495; 10.2901
90; 104.068; 90
1359.4Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
Ammonia-Promoted One-Pot Tetrazolopiperidinone Synthesis by Ugi Reaction.
ACS combinatorial science, 2017, 19, 343-350

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