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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
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Quality Segment

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

-10 to -25°C

SMILES string

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

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.


pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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