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Merck
CN

SML4097

CID 2745687

≥98% (HPLC)

Synonym(s):

1-(2,4-Difluorophenyl)-5-[[2-[[(1,1-dimethylehyl)amino]thioxomethyl]hydrazinylidene]methyl]-1H-pyrazole-4-carboxylic acid methyl ester, CID-2745687, CID2745687, MLS 0396531, MLS-0396531, MLS0396531, SID26730533, SID 26730533, SID-26730533, Methyl 1-(2,4-difluorophenyl)-5-[[2-[[(1,1-dimethylethyl)amino]thioxomethyl]hydrazinylidene]methyl]-1H-pyrazole-4-carboxylate; Methyl-5-[(tert-butylcarbamothioylhydrazinylidene)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate

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About This Item

Empirical Formula (Hill Notation):
C17H19F2N5O2S
CAS Number:
Molecular Weight:
395.43
MDL number:
NACRES:
NA.28
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
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SMILES string

O=C(C1=C(/C=N/NC(NC(C)(C)C)=S)N(C2=CC=C(C=C2F)F)N=C1)OC

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

-10 to -25°C

Quality Level

Biochem/physiol Actions

Potent and human GPR35-selective antagonist that effectively blocks agonist-induced cellular responses without significant effect toward rat or mouse GPR35.

CID 2745687 is a potent and human GPR35-selective antagonist that effectively blocks agonist pamoic acid (PA)-induced cellular responses using human HA-GPR35a-expressing U2OS transfectants (Ki = 12.8 or 18 nM against 1 µM PA by βarr2-GFP recruitment and ERK1/2 phosphorylation, respectively), while exhibiting no significant effect toward rat or mouse GPR35. CID 2745687 is competitive against cromolyn disodium and zaprinast, while being noncompetitive against PA.

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