Home Other Building Blocks 2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetic acid

2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetic acid

CAS No.:
65872-41-5
Catalog Number:
AG003EQW
Molecular Formula:
C6H7N3O3S
Molecular Weight:
201.2031
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$38
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$369
- +
Product Description
Catalog Number:
AG003EQW
Chemical Name:
2-(2-Aminothiazole-4-yl)-2-methoxyiminoacetic acid
CAS Number:
65872-41-5
Molecular Formula:
C6H7N3O3S
Molecular Weight:
201.2031
MDL Number:
MFCD00071528
IUPAC Name:
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
InChI:
InChI=1S/C6H7N3O3S/c1-12-9-4(5(10)11)3-2-13-6(7)8-3/h2H,1H3,(H2,7,8)(H,10,11)/b9-4-
InChI Key:
NLARCUDOUOQRPB-WTKPLQERSA-N
SMILES:
CO/N=C(\c1csc(n1)N)/C(=O)O
EC Number:
265-957-0
UNII:
31Y5PR0Y6R
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
201.021g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.2g/mol
Monoisotopic Mass:
201.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Oxime-assisted reactivation of tabun-inhibited acetylcholinesterase analysed by active site mutations. Toxicology 20180801
Cardiac safety evaluation in zebrafish and in silico ADME prediction of cephalosporins with an aminothiazoyl ring at the C-7 position. Toxicology and applied pharmacology 20180515
Investigation of the reactivation kinetics of a large series of bispyridinium oximes with organophosphate-inhibited human acetylcholinesterase. Toxicology letters 20160226
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
In vitro reactivating effects of standard and newly developed oximes on malaoxon-inhibited mouse brain acetylcholinesterase. Basic & clinical pharmacology & toxicology 20100901
Effective bisquaternary reactivators of tabun-inhibited AChE. Journal of applied toxicology : JAT 20050101
Properties