Home Halogens 1H-Imidazole-5-carboxaldehyde, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-

1H-Imidazole-5-carboxaldehyde, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-

CAS No.:
114798-36-6
Catalog Number:
AG000F82
Molecular Formula:
C22H21ClN6O
Molecular Weight:
420.8947
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$119
- +
5mg
≥95%
1 week
United States
$229
- +
10mg
≥95%
1 week
United States
$339
- +
Product Description
Catalog Number:
AG000F82
Chemical Name:
1H-Imidazole-5-carboxaldehyde, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
114798-36-6
Molecular Formula:
C22H21ClN6O
Molecular Weight:
420.8947
MDL Number:
MFCD00870256
IUPAC Name:
2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
InChI:
InChI=1S/C22H21ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,25,26,27,28)
InChI Key:
FQZSMTSTFMNWQF-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C=O)Cl
UNII:
KJ52CU0VV6
Properties
Complexity:
546  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.147g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
420.901g/mol
Monoisotopic Mass:
420.147g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
CYP2C9-mediated metabolic activation of losartan detected by a highly sensitive cell-based screening assay. Drug metabolism and disposition: the biological fate of chemicals 20110501
Losartan metabolite EXP3179: an AT1-receptor-independent treatment strategy for patients with the metabolic syndrome? Hypertension (Dallas, Tex. : 1979) 20091001
Protein kinase C-inhibiting properties of the losartan metabolite EXP3179 make the difference. Hypertension (Dallas, Tex. : 1979) 20091001
Chronic treatment with losartan results in sufficient serum levels of the metabolite EXP3179 for PPARgamma activation. Hypertension (Dallas, Tex. : 1979) 20091001
Losartan metabolite EXP3179 blocks NADPH oxidase-mediated superoxide production by inhibiting protein kinase C: potential clinical implications in hypertension. Hypertension (Dallas, Tex. : 1979) 20091001
EXP3179 inhibits collagen-dependent platelet activation via glycoprotein receptor-VI independent of AT1-receptor antagonism: potential impact on atherothrombosis. Arteriosclerosis, thrombosis, and vascular biology 20070501
Regulation of peroxisome proliferator-activated receptor gamma activity by losartan metabolites. Hypertension (Dallas, Tex. : 1979) 20060301
Losartan metabolite EXP3179 activates Akt and endothelial nitric oxide synthase via vascular endothelial growth factor receptor-2 in endothelial cells: angiotensin II type 1 receptor-independent effects of EXP3179. Circulation 20050920
Angiotensin II AT1 receptor antagonists. Clinical implications of active metabolites. Journal of medicinal chemistry 20030605
Properties