AF64394|GPR3 agonist|cas 1637300-25-4|DC Chemicals

Cas No.:	1637300-25-4
Chemical Name:	N-[(4-Chloro-2-propan-2-yloxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Synonyms:	AF64394;(4-Chloro-2-isopropoxy-benzyl)-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine;N-(4-chloro-2-isopropoxybenzyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;BCP29864;AF 64394;AK00799739;N-[[4-Chloro-2-(1-methylethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;N-[(4-Chloro-2-propan-2-yloxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILES:	ClC1C([H])=C([H])C(=C(C=1[H])OC([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])N([H])C1=C([H])C(C2C([H])=C([H])C([H])=C([H])C=2[H])=NC2=NC([H])=NN12
Formula:	C₂₁H₂₀ClN₅O
M.Wt:	393.8694
Purity:	>98%
Sotrage:	2 years -20°C Powder, 2 weeks 4°C in DMSO, 6 months -80°C in DMSO

Description:	AF64394 is a GPR3 inverse agonist, with a pIC50 of 7.3.
Target:	pIC50: 7.3 (GPR3)[1].
In Vitro:	AF64394 is a GPR3 inverse agonist, with a pIC50 of 7.3. AF34394 and related compounds are only of modest potency and are relatively lipophilic (e.g., AF34394 clogP=5.2, LLE=2.1, and 14b clog P=3.1 and LLE=3.2) the series shows promising SAR and represents an excellent start point for further optimization[1].
References:	[1]. Jensen T, et al. The identification of GPR3 inverse agonist AF64394; the first small molecule inhibitor of GPR3 receptor function. Bioorg Med Chem Lett. 2014 Nov 15;24(22):5195-8.

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