Name: Name:3-(4-Chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-N'-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide
Brand: Angene
SKU: AG007ABH
Rating: 90 (10 reviews)

Catalog Number:

AG007ABH

Chemical Name:

3-(4-Chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-N'-methyl-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide

CAS Number:

362519-49-1

Molecular Formula:

C23H20Cl2N4O2S

Molecular Weight:

487.4015

MDL Number:

MFCD12912330

IUPAC Name:

5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide

InChI:

InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)

InChI Key:

AXJQVVLKUYCICH-UHFFFAOYSA-N

SMILES:

CN=C(N1N=C(C(C1)c1ccccc1)c1ccc(cc1)Cl)NS(=O)(=O)c1ccc(cc1)Cl

Complexity:

791

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

486.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

487.399g/mol

Monoisotopic Mass:

486.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.3

Title	Journal
JD-5006 and JD-5037: peripherally restricted (PR) cannabinoid-1 receptor blockers related to SLV-319 (Ibipinabant) as metabolic disorder therapeutics devoid of CNS liabilities.	Bioorganic & medicinal chemistry letters 20121001
Ibipinabant attenuates β-cell loss in male Zucker diabetic fatty rats independently of its effects on body weight.	Diabetes, obesity & metabolism 20120601
Surface energy analysis as a tool to probe the surface energy characteristics of micronized materials--a comparison with inverse gas chromatography.	International journal of pharmaceutics 20120117
Physical stability and recrystallization kinetics of amorphous ibipinabant drug product by fourier transform raman spectroscopy.	Journal of pharmaceutical sciences 20111101
The hypothermic response to bacterial lipopolysaccharide critically depends on brain CB1, but not CB2 or TRPV1, receptors.	The Journal of physiology 20110501
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
Pooled sample strategy in conjunction with high-resolution liquid chromatography-mass spectrometry-based background subtraction to identify toxicological markers in dogs treated with ibipinabant.	Analytical chemistry 20100501
Synthesis, SAR and intramolecular hydrogen bonding pattern of 1,3,5-trisubstituted 4,5-dihydropyrazoles as potent cannabinoid CB(1) receptor antagonists.	Bioorganic & medicinal chemistry letters 20100301
Bioisosteric replacement of dihydropyrazole of 4S-(-)-3-(4-chlorophenyl)-N-methyl-N'-[(4-chlorophenyl)-sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole-1-caboxamidine (SLV-319) a potent CB1 receptor antagonist by imidazole and oxazole.	Bioorganic & medicinal chemistry letters 20080201
Diaryl dihydropyrazole-3-carboxamides with significant in vivo antiobesity activity related to CB1 receptor antagonism: synthesis, biological evaluation, and molecular modeling in the homology model.	Journal of medicinal chemistry 20071129
The relationship of in vivo central CB1 receptor occupancy to changes in cortical monoamine release and feeding elicited by CB1 receptor antagonists in rats.	Psychopharmacology 20060101
Novel 3,4-diarylpyrazolines as potent cannabinoid CB1 receptor antagonists with lower lipophilicity.	Bioorganic & medicinal chemistry letters 20051101
Synthesis, biological properties, and molecular modeling investigations of novel 3,4-diarylpyrazolines as potent and selective CB(1) cannabinoid receptor antagonists.	Journal of medicinal chemistry 20040129