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Small Molecules & Compound Libraries
Signaling Pathways
GPCR/G Protein
Urotensin Receptor
(±)-AC 7954 hydrochloride - 98%, high purity , CAS No.477313-09-0

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(±)-AC 7954 hydrochloride - 98%, high purity , CAS No.477313-09-0

COA

Grade & Purity:

≥98%

Cas Number: 477313-09-0
Molecular Weight: 366.28
PubChem CID: 9907171

In stock

Item Number

A287549

Grouped product items
SKU	Size	Availability	Price	Qty
A287549-10mg	10mg	3	$171.90
A287549-50mg	50mg	3	$631.90

Non-peptide UT receptor agonist

View related series

Class A GPCR (4138)

Basic Description

Synonyms	CUA31309 \| AKOS024457127 \| 3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-4H-isochromen-1-one;hydrochloride \| (+/-)-AC 7954 HYDROCHLORIDE \| 1H-2-Benzopyran-1-one, 3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-3,4-dihydro-, (Hydrochloride) (1:1) \| 1H-2-Benz
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Highly selective, non-peptide urotensin-II (UT) receptor agonist that displays potent activity at human and rat UT receptors (pEC50values are 6.5 and 6.7 respectively).
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 2-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	2-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	2-benzopyrans
Alternative Parents	Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2-benzopyran - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Lactone - Carboxylic acid derivative - Oxacycle - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 2-position.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

UTS2R Tchem Urotensin II receptor (1388 Activities)

Discover Target: UTS2R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl]-4H-isochromen-1-one;hydrochloride
INCHI	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
InChIKey	AJPGLOWFIBOGMH-UHFFFAOYSA-N
Smiles	CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl.Cl
Isomeric SMILES	CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)Cl.Cl
PubChem CID	9907171
Molecular Weight	366.28

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
G2325292	Certificate of Analysis	Jul 13, 2023	A287549
G2325297	Certificate of Analysis	Jul 13, 2023	A287549

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 27.47, Max Conc. mM: 75; Solvent:DMSO, Max Conc. mg/mL: 27.47, Max Conc. mM: 75
Sensitivity	Heat sensitive; Monisture sensitive
Molecular Weight	366.300 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	365.095 Da
Monoisotopic Mass	365.095 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	420.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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