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A-804598

CAT: 1410-M17148-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M17148-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A-804598 is a competitive and selective P2X7 receptor antagonist (IC50: 10 nM, rat; 9 nM, mouse; 11 nM, human) .
CAS Number
1125758-85-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
315.37
Molecular Formula
C19H17N5
Notes
Research use only, not for human use.
Receptor
P2X7

Chemical Information

A804598
CAS Number1125758-85-1
PubChem CID53325874
IUPAC Name1-cyano-2-[(1S)-1-phenylethyl]-3-quinolin-5-ylguanidine
Molecular FormulaC19H17N5
Molecular Weight315.4
XLogP4
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity473
SMILES
C[C@@H](C1=CC=CC=C1)N=C(NC#N)NC2=CC=CC3=C2C=CC=N3
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
InChIKey
PQYCRDPLPKGSME-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of A804598
CAS: 1125758-85-1
CID: 53325874
Formula: C19H17N5
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass315.14839556
Monoisotopic Mass315.14839556
Topological Polar Surface Area73.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A16066-500A-804598 500mg

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