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CID 2745687

CID 2745687 ??? ???

?? ??:: 264233-05-8

???:: CID 2745687

???(??):: CID 2745687;CID 2745687, 10 mM in DMSO;Methyl 1-(2,4-Difluoro-phenyl)-5-((4-tert-butyl-thioseMicarbazono)Methyl)-1H-pyrazole-4-carboxylate;methyl 5-[(E)-(tert-butylcarbamothioylhydrazono)methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate;Methyl 5-((2-(tert-butylcarbamothioyl)hydrazono)methyl)-1-(2,4-difluorophenyl)-1H-pyrazole-4-carboxylate;methyl 5-({[(tert-butylcarbamothioyl)amino]imino}methyl)-1-(2,4-difluorophenyl)-1H-pyrazole-4-carboxylate;GPCR,CID-2745687,CID2745687,G Protein-coupled Receptors,inhibit,Inhibitor,CID 2745687,Arrestin,GPR35 antagonist;1H-Pyrazole-4-carboxylic acid, 1-(2,4-difluorophenyl)-5-[[2-[[(1,1-dimethylethyl)amino]thioxomethyl]hydrazinylidene]methyl]-, methyl ester

CBNumber:: CB82538273

???:: C17H19F2N5O2S

??? ??:: 395.43

MOL ??:: 264233-05-8.mol

?? ?? 80

CID 2745687 ??

?? ??: Store at -20°C

???: DMSO? ???

??? ??: ??? ??

??: Off-white to light yellow

InChI: 1S/C17H19F2N5O2S/c1-17(2,3)22-16(27)23-20-9-14-11(15(25)26-4)8-21-24(14)13-6-5-10(18)7-12(13)19/h5-9H,1-4H3,(H2,22,23,27)/b20-9+

InChIKey: CYNLZIBKERMMOA-AWQFTUOYSA-N

SMILES: COC(=O)c1cnn(-c2ccc(F)cc2F)c1\C=N\NC(=S)NC(C)(C)C

?? ? ?? ??
?? ? ???? ?? (GHS)

WGK ??	WGK 3
???? ???	11 - Combustible Solids

????(GHS):

?? ?:

Warning

??·?? ??:

??	??·?? ??	?? ??	??	?? ?	P- ??
H302	??? ???	?? ?? ?? - ??	?? 4	??	P264, P270, P301+P312, P330, P501
H315	??? ??? ???	????? ?? ?????	?? 2	??	P264, P280, P302+P352, P321,P332+P313, P362
H319	?? ?? ??? ???	?? ? ?? ?? ??? ??	?? 2A	??	P264, P280, P305+P351+P338,P337+P313P
H335	?? ???? ??? ? ??	?? ???? ?? - 1? ??;???? ??	?? 3	??

??????:

P261	??·?·??·???·??·...·????? ??? ????.
P305+P351+P338	?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.

CID 2745687 C??? ??, ??, ??

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GPR35 is a G protein-coupled receptor that is activated by kynurenic acid and 2-acyl lysophosphatidic acids (e.g., 2-oleoyl lysophosphatidic acid). It is expressed predominantly on immune cells, the brain, and in the gastrointestinal tract. GPR35 is overexpressed in gastric cancer cells. CID-2745687 is a reversible, competitive antagonist of GPR35, blocking activation by the synthetic agonist pamoic acid with a K_i value of 12.8 nM. It less potently blocks activation of GPR35 by zaprinast (IC₅₀ = 160 nM). It shows ~57-fold selectivity for GPR35 over the related receptor GPR55 (IC₅₀ = 9.08 μM).

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CID 2745687 is used as a GPR35 antagonist, with potential application towards immune or gastrointestinal system regulation.

CID 2745687 ?? ?? ? ???

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CID 2745687 ?? ??

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