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JNJ-42041935

CAS No.:
1193383-09-3
Catalog Number:
AG000IM5
Molecular Formula:
C12H6ClF3N4O3
Molecular Weight:
346.6492
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$125
- +
5mg
≥98%
1 week
United States
$228
- +
10mg
≥98%
1 week
United States
$329
- +
Product Description
Catalog Number:
AG000IM5
Chemical Name:
JNJ-42041935
CAS Number:
1193383-09-3
Molecular Formula:
C12H6ClF3N4O3
Molecular Weight:
346.6492
MDL Number:
MFCD25541711
IUPAC Name:
1-[6-chloro-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H6ClF3N4O3/c13-6-1-7-8(2-9(6)23-12(14,15)16)19-11(18-7)20-4-5(3-17-20)10(21)22/h1-4H,(H,18,19)(H,21,22)
InChI Key:
FXHHASJVTYRJHH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn(c1)c1[nH]c2c(n1)cc(c(c2)Cl)OC(F)(F)F
UNII:
T4PPL01131
Properties
Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.008g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
346.65g/mol
Monoisotopic Mass:
346.008g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
The stabilization of hypoxia inducible factor modulates differentiation status and inhibits the proliferation of mouse embryonic stem cells. Chemico-biological interactions 20160125
Pharmacological characterization of 1-(5-chloro-6-(trifluoromethoxy)-1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid (JNJ-42041935), a potent and selective hypoxia-inducible factor prolyl hydroxylase inhibitor. Molecular pharmacology 20110601
Properties