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1273182-71-0

1273182-71-0 | CyclopropanecarboxaMide, N-[3-(2-Methoxyethyl)-4,5-diMethyl-2(3H)-thiazolylidene]-2,2,3,3-tetraMethyl-

CAS No: 1273182-71-0 Catalog No: AG000WWV MDL No:

Product Description

Catalog Number:
AG000WWV
Chemical Name:
CyclopropanecarboxaMide, N-[3-(2-Methoxyethyl)-4,5-diMethyl-2(3H)-thiazolylidene]-2,2,3,3-tetraMethyl-
CAS Number:
1273182-71-0
Molecular Formula:
C16H26N2O2S
Molecular Weight:
310.4548
IUPAC Name:
N-[3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
InChI:
InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
InChI Key:
JKGIMVBQKSRTGX-UHFFFAOYSA-N
SMILES:
COCCn1c(=NC(=O)C2C(C2(C)C)(C)C)sc(c1C)C
UNII:
Z6Y1J258EG

Properties

Complexity:
506  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.171g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.456g/mol
Monoisotopic Mass:
310.171g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
Therapeutic utility of cannabinoid receptor type 2 (CB(2)) selective agonists. Journal of medicinal chemistry 20131114
Discovery of S-777469: an orally available CB2 agonist as an antipruritic agent. Bioorganic & medicinal chemistry letters 20120415
Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2. European journal of medicinal chemistry 20110201
A CB(2) receptor agonist, A-836339, modulates wide dynamic range neuronal activity in neuropathic rats: contributions of spinal and peripheral CB(2) receptors. Neuroscience 20090218
Characterization of a cannabinoid CB2 receptor-selective agonist, A-836339 [2,2,3,3-tetramethyl-cyclopropanecarboxylic acid [3-(2-methoxy-ethyl)-4,5-dimethyl-3H-thiazol-(2Z)-ylidene]-amide], using in vitro pharmacological assays, in vivo pain models, and pharmacological magnetic resonance imaging. The Journal of pharmacology and experimental therapeutics 20090101

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