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83285-83-0 | thiazole-4-carboxamide adenine dinucleotide
CAS No: 83285-83-0 Catalog No: AG00GK3K MDL No:
Product Description
Catalog Number:
AG00GK3K
Chemical Name:
thiazole-4-carboxamide adenine dinucleotide
CAS Number:
83285-83-0
IUPAC Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
InChI:
InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1
InChI Key:
INQLNSVYIFCUML-QZTLEVGFSA-N
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
669.066g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
669.452g/mol
Monoisotopic Mass:
669.066g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
356A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.8
Literature
| Title | Journal |
|---|---|
| Selective inhibition of nicotinamide adenine dinucleotide kinases by dinucleoside disulfide mimics of nicotinamide adenine dinucleotide analogues. | Bioorganic & medicinal chemistry 20090801 |
| Bis(sulfonamide) isosters of mycophenolic adenine dinucleotide analogues: inhibition of inosine monophosphate dehydrogenase. | Bioorganic & medicinal chemistry 20080801 |
| Dual inhibitors of inosine monophosphate dehydrogenase and histone deacetylases for cancer treatment. | Journal of medicinal chemistry 20071227 |
| Probing binding requirements of type I and type II isoforms of inosine monophosphate dehydrogenase with adenine-modified nicotinamide adenine dinucleotide analogues. | Journal of medicinal chemistry 20071115 |
| Synthesis, conformational analysis, and biological activity of new analogues of thiazole-4-carboxamide adenine dinucleotide (TAD) as IMP dehydrogenase inhibitors. | Bioorganic & medicinal chemistry 20050315 |
| Simultaneous LC determination of tiazofurin, its acetyl and benzoyl esters and their active metabolite thiazole-4-carboxamide adenine dinucleotide in biological samples. | Journal of pharmaceutical and biomedical analysis 20021107 |
| Novel mycophenolic adenine bis(phosphonate)s as potential immunosuppressants. | Current medicinal chemistry 19990701 |
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