WAY 267464 dihidrocloruro - ≥97%(HPLC) , CAS No.1432043-31-6

CAS: 1432043-31-6 Cat. No.: W288392 Peso molecular: 654.59 PubChem CID: 136271320

GRADE & PURITY ≥97%(HPLC)

Synonyms

WAY267464 | WAY-267464 | 1432043-31-6 | 1-Piperazinecarboxamida, N-[[4-[(4,10-dihidro-1-metilpirazolo[3,4-b][1,5]benzodiazepina-5(1H)-il)carbonil]-2-metilfenil]metil]-4-[(3,5-dihidroxifenil)metil]-, clorhidrato (1:2) | N-[[4-[(4,10-Dihidro-1-metil

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

WAY267464 | WAY-267464 | 1432043-31-6 | 1-Piperazinecarboxamida, N-[[4-[(4, 10-dihidro-1-metilpirazolo[3, 4-b][1, 5]benzodiazepina-5(1H)-il)carbonil]-2-metilfenil]metil]-4-[(3, 5-dihidroxifenil)metil]-, clorhidrato (1:2) | N-[[4-[(4, 10-Dihidro-1-metil

Especificaciones y pureza

≥97%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent, selective non-peptide oxytocin receptor (OTR) agonist (Ki= 58.4 nM at human OTR). Exhibits anxiolytic-like effects. May have therapeutic potential for the treatment of psychosis and schizophrenia.

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=CC(=C1)C(=O)N2CC3=C(NC4=CC=CC=C42)N(N=C3)C)CNC(=O)N5CCN(CC5)CC6=CC(=CC(=C6)O)O.Cl.Cl
• IUPAC Name: 4-[(3,5-dihydroxyphenyl)methyl]-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]piperazine-1-carboxamide;dihydrochloride
• InChIKey: OTFWXMFLPMUDFP-UHFFFAOYSA-N
• INCHI: 1S/C32H35N7O4.2ClH/c1-21-13-23(31(42)39-20-25-18-34-36(2)30(25)35-28-5-3-4-6-29(28)39)7-8-24(21)17-33-32(43)38-11-9-37(10-12-38)19-22-14-26(40)16-27(41)15-22;;/h3-8,13-16,18,35,40-41H,9-12,17,19-20H2,1-2H3,(H,33,43);2*1H
• Isómeros SMILES: CC1=C(C=CC(=C1)C(=O)N2CC3=C(NC4=CC=CC=C42)N(N=C3)C)CNC(=O)N5CCN(CC5)CC6=CC(=CC(=C6)O)O.Cl.Cl
• PubChem CID: 136271320
• Peso molecular: 654.59

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 52.37, Max Conc. mM: 80; Solvent:water, Max Conc. mg/mL: 3.27, Max Conc. mM: 5
• Peso molecular: 654.600 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 653.228 Da
• Monoisotopic Mass: 653.228 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 954.000
• 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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