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Home Other Building Blocks A 804598

A 804598

CAS No.:
1125758-85-1
Catalog Number:
AG008TOA
Molecular Formula:
C19H17N5
Molecular Weight:
315.3718
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$157
- +
10mg
98%
1 week
United States
$207
- +
25mg
98%
1 week
United States
$373
- +
50mg
98%
1 week
United States
$607
- +
100mg
98%
1 week
United States
$1023
- +
Product Description
Catalog Number:
AG008TOA
Chemical Name:
A 804598
CAS Number:
1125758-85-1
Molecular Formula:
C19H17N5
Molecular Weight:
315.3718
MDL Number:
MFCD22683834
IUPAC Name:
1-cyano-2-[(1S)-1-phenylethyl]-3-quinolin-5-ylguanidine
InChI:
InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
InChI Key:
PQYCRDPLPKGSME-AWEZNQCLSA-N
SMILES:
N#CN/C(=N/c1cccc2c1cccn2)/N[C@H](c1ccccc1)C
Properties
Complexity:
473  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
315.148g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
315.38g/mol
Monoisotopic Mass:
315.148g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Receptor localization, native tissue binding and ex vivo occupancy for centrally penetrant P2X7 antagonists in the rat. British journal of pharmacology 20110101
[3H]A-804598 ([3H]2-cyano-1-[(1S)-1-phenylethyl]-3-quinolin-5-ylguanidine) is a novel, potent, and selective antagonist radioligand for P2X7 receptors. Neuropharmacology 20090101
Investigations on the kinetic mechanism of octopine dehydrogenase. 1. Steady-state kinetics. European journal of biochemistry 19751101
Properties