Home Imidazoles 113713-60-3
113713-60-3,MFCD06658230
Catalog No.:AA0009D3
113713-60-3 | 2-Mercapto-5-methoxyimidazole-[4,5-b]pyridine
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1g
97%
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$7.00   $5.00
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5g
97%
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$23.00   $16.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0009D3
Chemical Name:
2-Mercapto-5-methoxyimidazole-[4,5-b]pyridine
CAS Number:
113713-60-3
Molecular Formula:
C7H7N3OS
Molecular Weight:
181.2150
MDL Number:
MFCD06658230
IUPAC Name:
5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
InChI:
InChI=1S/C7H7N3OS/c1-11-5-3-2-4-6(9-5)10-7(12)8-4/h2-3H,1H3,(H2,8,9,10,12)
InChI Key:
PNYFSMIUARCIRR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(n1)[nH]c(=S)[nH]2
Properties
Computed Properties
 
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.213g/mol
Monoisotopic Mass:
181.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
113713-60-3 
2-Mercapto-5-methoxyimidazole[4,5-b]pyridine 
2H-Imidazo[4,5-b]pyridine-2-thione, 1,3-dihydro-5-methoxy- 
2-Mercapto-5-methoxyimidazol[4,5-b]pyridine 
PubChem15037 
KSC915M9H 
SCHEMBL3170310 
Jsp001053 
CTK8B5693 
KS-00000LMX 
DTXSID70456136 
PNYFSMIUARCIRR-UHFFFAOYSA-N 
2-Mercapto-5-methoxyimidazole-[4,5-b]pyridine 
ACT07816 
ANW-49657 
BDBM50346545 
CM-324 
SBB065232 
ZINC12359251 
AKOS005254737 
AKOS015852344 
AKOS028108306 
AC-8148 
5-Methoxy-3H-imidazo[4,5-b]pyridine-2-thiol 
AN-8323 
CS-W017153 
DS-0701 
FS-2952 
PS-3599 
RP24248 
RTR-002623 
SB17941 
VP11012 
2-Mercapto -5-methoxy imidazole pyridine 
5-methoxy-1H-imidazo[4,5-b]pyridine-2-thiol 
5-methoxyimidazo[4,5-b]pyridine-2-thiol 
AJ-74724 
AK-29790 
BC218828 
BR-29790 
I231 
SC-62372 
AB0013561 
ST2416998 
TL8006124 
MFCD06658230 
TR-002623 
4CH-014262 
AM20050679 
FT-0602430 
2-Mercapto-5-methoxy-imidazo[4,5-b]pyridine 
2-Mercapto-5-methoxyimidazolo-[4,5-b]pyridine 
S-1421 
2-Mercapto-5-Methoxy imidazole-(4,5-b)pyridine 
2-Mercapto-5-methoxyimidazole-(4,5,b)-pyridine 
5-Methoxy-2H-imidazo[4,5-b]pyridine-2-thione 
CHEMBL1797923 
713M603 
J-509772 
5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione 
4-Methoxyisophthalic acid; 
C7H7N3OS 
ACN-S005384 
CID11126879 
A2314 
2-Mercapto-5-methoxy-3H-imidazo[4,5-b]pyridine, 98% - 5G 5g 
4-methoxy-5,7,9-triazabicyclo[4.3.0]nona-2,4,10-triene-8-thione 
2-Mercapto-5-methoxy-3H-imidazo[4,5-b]pyridine 
2-Mercapto-5-methoxyimidazol(4,5-b)pyridine 
5-Methoxy-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thione 
Literature

Title: Synthesis and biological activity of splitomicin analogs targeted at human NAD(+)-dependent histone deacetylases (sirtuins).

Journal: Bioorganic & medicinal chemistry 20110615

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