- Multiplexing of Combinatorial Chemistry in Antimycin Biosynthesis: Expansion of Molecular Diversity and UtilityBy Yan, Yan et al, Angewandte Chemie, 2013, 52(47), 12308-12312
Cas no 1527491-92-4 (Coenzyme A, S-(hydrogen 2-heptylpropanedioate))
1527491-92-4 structure
Product Name:Coenzyme A, S-(hydrogen 2-heptylpropanedioate)
CAS No:1527491-92-4
MF:C31H52N7O19P3S
MW:951.766369819641
CID:5598748
Update Time:2023-09-01
Coenzyme A, S-(hydrogen 2-heptylpropanedioate) Chemical and Physical Properties
Names and Identifiers
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- Coenzyme A, S-(hydrogen 2-heptylpropanedioate)
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- Inchi： 1S/C31H52N7O19P3S/c1-4-5-6-7-8-9-18(29(43)44)30(45)61-13-12-33-20(39)10-11-34-27(42)24(41)31(2,3)15-54-60(51,52)57-59(49,50)53-14-19-23(56-58(46,47)48)22(40)28(55-19)38-17-37-21-25(32)35-16-36-26(21)38/h16-19,22-24,28,40-41H,4-15H2,1-3H3,(H,33,39)(H,34,42)(H,43,44)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t18?,19-,22-,23-,24+,28-/m1/s1
- InChI Key： YADQJCQLROAVHO-LNSOOWQSSA-N
- SMILES： O[C@@H]1[C@@H]([C@@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)O)CCCCCCC)O[C@H]1N1C=NC2=C(N=CN=C12)N)OP(O)(O)=O
Coenzyme A, S-(hydrogen 2-heptylpropanedioate) Production Method
Production Method 1
Reaction Conditions
1.1R:Et3N, S:CH2Cl2, 0°C; 0.5 h, rt
1.2R:HCl, S:H2O
2.1S:Benzene, rt; 4 h, reflux
2.2R:NaOH, S:H2O
3.1S:PhMe, 48 h, rt
4.1S:H2O, S:THF, overnight, rt, pH 8.5
5.1R:NaHCO3, C:Coenzyme II, reduced, S:H2O, 0.5 h, 30°C, pH 7
5.2R:Cl3CCO2H, S:H2O
1.2R:HCl, S:H2O
2.1S:Benzene, rt; 4 h, reflux
2.2R:NaOH, S:H2O
3.1S:PhMe, 48 h, rt
4.1S:H2O, S:THF, overnight, rt, pH 8.5
5.1R:NaHCO3, C:Coenzyme II, reduced, S:H2O, 0.5 h, 30°C, pH 7
5.2R:Cl3CCO2H, S:H2O
Reference
Coenzyme A, S-(hydrogen 2-heptylpropanedioate) Raw materials
Coenzyme A, S-(hydrogen 2-heptylpropanedioate) Preparation Products
Coenzyme A, S-(hydrogen 2-heptylpropanedioate) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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