Bavisant - ≥98% , Histamine H3 receptor antagonist, CAS No.929622-08-2, Histamine H3 receptor antagonist

CAS: 929622-08-2 Cat. No.: B126313 Peso molecular: 329.44

GRADE & PURITY ≥98%

Synonyms

Danoprevir [USAN] | A916281 | DTXSID001026045 | Q27272071 | Bavisant (USAN/INN) | BAVISANT [INN] | (4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone | (4-Cyclopropylpiperazin-1-yl)[4-(morpholin-4-ylmethyl)phenyl]methanone | NSC-80086

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Bavisant (JNJ-31001074) is an potent, brain-penetrating and highly selective antagonist of the histamine H3 receptor. Bavisant can be used for attention-deficit hyperactivity disorder (ADHD) research.

Specifications

Sinónimos

Danoprevir [USAN] | A916281 | DTXSID001026045 | Q27272071 | Bavisant (USAN/INN) | BAVISANT [INN] | (4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone | (4-Cyclopropylpiperazin-1-yl)[4-(morpholin-4-ylmethyl)phenyl]methanone | NSC-80086

Especificaciones y pureza

≥98%

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

ANTAGONIST

Mecanismo de acción

Histamine H3 receptor antagonist

Pureza

≥98%

Propiedades del producto

• ALogP: 1.2

Nombres e identificadores

• Sonrisas canónicas: C1CC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4
• IUPAC Name: (4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
• InChIKey: BGBVSGSIXIIREO-UHFFFAOYSA-N
• INCHI: 1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2
• Isómeros SMILES: C1CC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4
• Peso molecular: 329.44
• Reaxy-Rn: 11933659
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11933659&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Phenylmethylamines Benzylamines Benzoyl derivatives N-alkylpiperazines Aralkylamines Morpholines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Morpholine - Piperazine - Oxazinane - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

Objetivos asociados (humanos)

HRH3 Tclin Histamine H3 receptor (1 Activities)

Discover Target: HRH3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: 25°C: DMSO
• Peso molecular: 329.400 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 329.21 Da
• Monoisotopic Mass: 329.21 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 418.000
• 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