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A0355

AC-7954

Name: AC-7954
Brand: SIGMA

≥98% (HPLC), solid

Synonym(s):

(±)-3-(4-Chlorophenyl)-3-(2-(dimethylamino)ethyl)isochroman-1-one hydrochloride

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About This Item

Empirical Formula (Hill Notation):

C₁₉H₂₀ClNO₂ · HCl

CAS Number:

477313-09-0

Molecular Weight:

366.28

NACRES:

NA.77

PubChem Substance ID:

24724382

UNSPSC Code:

12352202

MDL number:

MFCD07784497

Assay:

≥98% (HPLC)

Form:

solid

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Properties

assay

≥98% (HPLC)

form

solid

color

white

solubility

H₂O: ~28 mg/mL

SMILES string

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

Gene Information

human ... UTS2R(2837)

Description

Biochem/physiol Actions

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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number

065K4626

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Unraveling the active conformation of urotensin II.

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

Discovery of the first nonpeptide agonist of the GPR14/urotensin-II receptor: 3-(4-chlorophenyl)-3-(2- (dimethylamino)ethyl)isochroman-1-one (AC-7954).

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

Global Trade Item Number

SKU	GTIN
A0355-5MG	04061832895567