A0355
AC-7954
≥98% (HPLC), solid
别名:
(±)-3-(4-Chlorophenyl)-3-(2-(dimethylamino)ethyl)isochroman-1-one hydrochloride
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关于此项目
经验公式（希尔记法）:
C19H20ClNO2 · HCl
化学文摘社编号:
分子量:
366.28
MDL编号:
UNSPSC代码:
12352202
PubChem化学物质编号:
NACRES:
NA.77
方案
≥98% (HPLC)
表单
solid
颜色
white
溶解性
H2O: ~28 mg/mL
SMILES字符串
Cl.CN(C)CCC1(Cc2ccccc2C(=O)O1)c3ccc(Cl)cc3
InChI
1S/C19H20ClNO2.ClH/c1-21(2)12-11-19(15-7-9-16(20)10-8-15)13-14-5-3-4-6-17(14)18(22)23-19;/h3-10H,11-13H2,1-2H3;1H
InChI key
AJPGLOWFIBOGMH-UHFFFAOYSA-N
基因信息
human ... UTS2R(2837)
生化/生理作用
Nonpeptide GPR14 / urotensin-UII (UII) receptor agonist that has an EC50 of 300 nM at the human UII receptor (h-UTR). AC-7954 has been shown to exist in two conformations, A and B; both conformations have a pharmacophoric distance within 0.5 Å of P5U, a potent peptidic UII agonist.
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
Eyeshields, Gloves, type N95 (US)
法规信息
新产品
此项目有
Alfonso Carotenuto et al.
Journal of medicinal chemistry, 47(7), 1652-1661 (2004-03-19)
Urotensin II (U-II) is a disulfide-bridged undecapeptide recently identified as the ligand of an orphan G-protein-coupled receptor. Human U-II (H-Glu-Thr-Pro-Asp-cyclo[Cys-Phe-Trp-Lys-Tyr-Cys]-Val-OH) has been described as the most potent vasoconstrictor compound identified to date. With the aim of elucidating the active conformation
Glenn E Croston et al.
Journal of medicinal chemistry, 45(23), 4950-4953 (2002-11-01)
A functional cell-based screen identified 3-(4-chlorophenyl)-3-(2-(dimethylamino)ethyl)isochroman-1-one hydrochloride (AC-7954, 1) as a nonpeptidic agonist of the urotensin-II receptor. Racemic 1 had an EC50 of 300 nM at the human UII receptor and was highly selective. Testing of the enantiopure (+)- and
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