- The importance of the amide bond nearest the thiol group in enzymatic reactions of coenzyme ABy Xun, Jin et al, Bioorganic Chemistry, 2005, 33(2), 90-107
Cas no 31417-02-4 (Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI))
![Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI) structure](https://ossimg.kuujia.com/scimg/31500/31417-02-4x500.png)
31417-02-4 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI)
CAS No:31417-02-4
MF:C22H38N7O16P3S
MW:781.560706615448
CID:320215
Update Time:2021-07-07
Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate),P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl]ester (9CI)
- 4-ester with2,4-dihydroxy-N-[2-[(3-mercaptopropyl)carbamoyl]ethyl]-3,3-dimethylbutyramide(8CI)
- 5'-ester with adenosine3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), D- (8CI)
- Adenosine,3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), 5'®
- Butyramide, 2,4-dihydroxy-N-[2-[(3-mercaptopropyl)carbamoyl]ethyl]-3,3-dimethyl-,4®
- Homocoenzyme A
- Homocysteamine-CoA
- Adenosine, 3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), 5'→4-ester with 2,4-dihydroxy-N-[2-[(3-mercaptopropyl)carbamoyl]ethyl]-3,3-dimethylbutyramide (8CI)
- Butyramide, 2,4-dihydroxy-N-[2-[(3-mercaptopropyl)carbamoyl]ethyl]-3,3-dimethyl-, 4→5'-ester with adenosine 3'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), D- (8CI)
- Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI)
-
- Inchi： InChI=1S/C22H38N7O16P3S/c1-22(2,17(32)20(33)25-6-4-13(30)24-5-3-7-49)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32,49H,3-9H2,1-2H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17?,21-/m1/s1
- InChI Key： ZQAAHQPLXSHQHA-BWGWEBPHSA-N
- SMILES： [C@H]1(O[C@H](COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCCS)[C@@H](OP(=O)(O)O)[C@H]1O)N1C=NC2C(N)=NC=NC1=2
Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI) Production Method
Production Method 1
Reaction Conditions
1.1R:NaOH, S:H2O, 4 h, rt, pH 10
1.2R:HCl, S:H2O, pH 4.5
1.2R:HCl, S:H2O, pH 4.5
Reference
Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI) Raw materials
- Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(2R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylthio)propyl]amino]butyl] ester (9CI)
- 3-aminopropane-1-thiol;hydrochloride
Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI) Preparation Products
Adenosine 5'-(trihydrogen diphosphate), 3'-(dihydrogen phosphate), P'-[(3R)-3-hydroxy-4-oxo-4-[[3-oxo-3-[(3-mercaptopropyl)amino]propyl]amino]-2,2-dimethylbutyl] ester (9CI) Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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