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A-740003

CAS No.:
861393-28-4
Catalog Number:
AG0036DB
Molecular Formula:
C26H30N6O3
Molecular Weight:
474.5548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
10mg
98%
1 week
United States
$140
- +
50mg
98%
1 week
United States
$173
- +
100mg
98%
1 week
United States
$246
- +
Product Description
Catalog Number:
AG0036DB
Chemical Name:
A-740003
CAS Number:
861393-28-4
Molecular Formula:
C26H30N6O3
Molecular Weight:
474.5548
MDL Number:
MFCD09970333
IUPAC Name:
N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
InChI:
InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)
InChI Key:
PUHSRMSFDASMAE-UHFFFAOYSA-N
SMILES:
N#CNC(=NC(C(C)(C)C)NC(=O)Cc1ccc(c(c1)OC)OC)Nc1cccc2c1cccn2
Properties
Complexity:
773  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
474.238g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
474.565g/mol
Monoisotopic Mass:
474.238g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
P2X7R activation drives distinct IL-1 responses in dendritic cells compared to macrophages. Cytokine 20150801
Assessment of mercury chloride-induced toxicity and the relevance of P2X7 receptor activation in zebrafish larvae. Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20130901
P2X7 receptor activation ameliorates CA3 neuronal damage via a tumor necrosis factor-α-mediated pathway in the rat hippocampus following status epilepticus. Journal of neuroinflammation 20110101
Novel P2X7 receptor antagonists ease the pain. British journal of pharmacology 20070701
A-740003 [N-(1-{[(cyanoimino)(5-quinolinylamino) methyl]amino}-2,2-dimethylpropyl)-2-(3,4-dimethoxyphenyl)acetamide], a novel and selective P2X7 receptor antagonist, dose-dependently reduces neuropathic pain in the rat. The Journal of pharmacology and experimental therapeutics 20061201
The conformational oscillation of delta-chymotrypsin involvement of methionine-192. European journal of biochemistry 19751101
Properties