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141887-34-5 | 3-Pyridinecarboxylic acid, 2-[propyl[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]-
CAS No: 141887-34-5 Catalog No: AG001HBS MDL No:
Product Description
Catalog Number:
AG001HBS
Chemical Name:
3-Pyridinecarboxylic acid, 2-[propyl[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]-
CAS Number:
141887-34-5
Molecular Formula:
C23H22N6O2
Molecular Weight:
414.4598
IUPAC Name:
2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
InChI:
InChI=1S/C23H22N6O2/c1-2-14-29(22-20(23(30)31)8-5-13-24-22)15-16-9-11-17(12-10-16)18-6-3-4-7-19(18)21-25-27-28-26-21/h3-13H,2,14-15H2,1H3,(H,30,31)(H,25,26,27,28)
InChI Key:
DLMNZGAILMQDHA-UHFFFAOYSA-N
SMILES:
CCCN(c1ncccc1C(=O)O)Cc1ccc(cc1)c1ccccc1c1n[nH]nn1
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.18g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.469g/mol
Monoisotopic Mass:
414.18g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Angiotensin II receptor type 1 (AT1) selective nonpeptidic antagonists--a perspective. | Bioorganic & medicinal chemistry 20101215 |
| Altered baroreflex control of heart rate in bradykinin B2-receptor knockout mice. | Immunopharmacology 19991201 |
| Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy. | Journal of medicinal chemistry 19960202 |
| [3H]A-81988, a potent, selective, competitive antagonist radioligand for angiotensin AT1 receptors. | European journal of pharmacology 19940315 |
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