Didesmethyl cariprazine - ≥99% , CAS No.839712-25-3

CAS: 839712-25-3 Cat. No.: D651098 Peso molecular: 399.36 PubChem CID: 11200383

GRADE & PURITY ≥99%

Synonyms

SCHEMBL3409190 | SCHEMBL1302192 | UNII-6AY300X9G3 | Didesmethyl cariprazine | DDCAR | [4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea | Urea, N-(trans-4-(2-(4-(2,3-dichlorophenyl)-1-piperazinyl)ethyl)cyclohexyl)- | AKOS040741633 | HY-100

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Didesmethyl cariprazine is a metabolite of Cariprazine and acts as the predominant circulating active moiety. Didesmethyl cariprazine has a long half-life of 1-3 weeks. Cariprazine is a antipsychotic agent candidate that exhibits high affinity for the D 3 and D 2 receptors, and moderate affinity for the 5-HT 1A receptor

Form:Solid

IC50& Target:5-HT 1A Receptor D 3 Receptor D 2 Receptor

Specifications

Sinónimos

SCHEMBL3409190 | SCHEMBL1302192 | UNII-6AY300X9G3 | Didesmethyl cariprazine | DDCAR | [4-[2-[4-(2, 3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea | Urea, N-(trans-4-(2-(4-(2, 3-dichlorophenyl)-1-piperazinyl)ethyl)cyclohexyl)- | AKOS040741633 | HY-100

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Didesmethyl cariprazine is a metabolite of Cariprazine and acts as the predominant circulating active moiety. Didesmethyl cariprazine has a long half-life of 1-3 weeks. Cariprazine is a antipsychotic agent candidate that exhibits high affinity for the D 3

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

MODULATOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1CC(CCC1CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl)NC(=O)N
• IUPAC Name: [4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
• InChIKey: UMTWXZNVNBBFLC-UHFFFAOYSA-N
• INCHI: 1S/C19H28Cl2N4O/c20-16-2-1-3-17(18(16)21)25-12-10-24(11-13-25)9-8-14-4-6-15(7-5-14)23-19(22)26/h1-3,14-15H,4-13H2,(H3,22,23,26)
• Isómeros SMILES: C1CC(CCC1CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl)NC(=O)N
• CAS alternativo: 839712-25-3
• PubChem CID: 11200383
• Peso molecular: 399.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dichlorobenzenes Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Aryl chlorides Ureas Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - 1,2-dichlorobenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic oxide - Organochloride - Organohalogen compound - Organonitrogen compound - Amine - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• External Descriptors: Not available

Data sources

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

Propiedades químicas y físicas

• Solubilidad: DMSO : 11.36 mg/mL (28.45 mM; ultrasonic and warming and heat to 80°C)
• Peso molecular: 399.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 398.164 Da
• Monoisotopic Mass: 398.164 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 451.000
• 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: 1