ATC0065 dihydrochloride - ≥98% , CAS No.510732-84-0

CAS: 510732-84-0 Cat. No.: A332126 Molecular Weight: 625.36 PubChem CID: 11479128

GRADE & PURITY ≥98%

Synonyms

UNII-3Q2C0BZD71 | N2-[cis-4-[[2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethyl]amino]cyclohexyl]-N4,N4-dimethyl-2,4-quinazolinediaminedihydrochloride | PD079480 | Q27257886 | 2-N-[4-[2-[4-bromo-2-(trifluoromethoxy)phenyl]ethylamino]cyclohexyl]-4-N,4-N-dimethyl

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

ATC 0065 is a selective and potent antagonist of the MCH-1R (melanin-concentrating hormone receptor 1). Additionally, this compound is reported to exhibit a 96-fold selectivity over MCH2 as well as displaying affinity for 5-HT1A and 5-HT2B receptors.

Specifications

Synonyms

UNII-3Q2C0BZD71 | N2-[cis-4-[[2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethyl]amino]cyclohexyl]-N4, N4-dimethyl-2, 4-quinazolinediaminedihydrochloride | PD079480 | Q27257886 | 2-N-[4-[2-[4-bromo-2-(trifluoromethoxy)phenyl]ethylamino]cyclohexyl]-4-N, 4-N-dimethyl

Specifications & Purity

≥98%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NCCC4=C(C=C(C=C4)Br)OC(F)(F)F.Cl.Cl
• IUPAC Name: 2-N-[4-[2-[4-bromo-2-(trifluoromethoxy)phenyl]ethylamino]cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine;dihydrochloride
• InChIKey: BPGUWYBAINNZQH-UHFFFAOYSA-N
• INCHI: 1S/C25H29BrF3N5O.2ClH/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29;;/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33);2*1H
• Isomeric SMILES: CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCC(CC3)NCCC4=C(C=C(C=C4)Br)OC(F)(F)F.Cl.Cl
• PubChem CID: 11479128
• Molecular Weight: 625.36

Chemical and Physical Properties

• Solubility: Soluble in DMSO (100 mM), and ethanol (100 mM).
• Sensitivity: Moisture sensitive
• Molecular Weight: 625.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 623.104 Da
• Monoisotopic Mass: 623.104 Da
• Topological Polar Surface Area: 62.300 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 649.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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