PRX-08066 , CAS No.866206-54-4

CAS: 866206-54-4 Cat. No.: P127869 Peso molecular: 401.89

Synonyms

HMS3748I19 | ZB1197 | 5-[[4-[(6-Chlorothieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]methyl]-2-fluorobenzonitrile | HY-15472 | SCHEMBL1604039 | 5-((4-(6-Chlorothieno(2,3-d)pyrimidine-4-ylamino)piperidin-1-yl)methyl)-2-fluorobenzonitrile | MS-26846 | C76

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

HMS3748I19 | ZB1197 | 5-[[4-[(6-Chlorothieno[2, 3-d]pyrimidin-4-yl)amino]-1-piperidinyl]methyl]-2-fluorobenzonitrile | HY-15472 | SCHEMBL1604039 | 5-((4-(6-Chlorothieno(2, 3-d)pyrimidine-4-ylamino)piperidin-1-yl)methyl)-2-fluorobenzonitrile | MS-26846 | C76

Mecanismos bioquímicos y fisiológicos

PRX-08066 is a selective 5-hydroxytryptamine receptor 2B (5-HT2BR) antagonist that causes selective vasodilation of pulmonary arteries. PRX-08066 significantly reduced peak PA pressure at 50 and 100 mg/kg (P < 0.05 and < 0.01, respe

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

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCC1NC2=C3C=C(SC3=NC=N2)Cl)CC4=CC(=C(C=C4)F)C#N
• IUPAC Name: 5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-2-fluorobenzonitrile
• InChIKey: IENZFHBNCRQMNP-UHFFFAOYSA-N
• INCHI: 1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25)
• Isómeros SMILES: C1CN(CCC1NC2=C3C=C(SC3=NC=N2)Cl)CC4=CC(=C(C=C4)F)C#N
• Peso molecular: 401.89
• Reaxy-Rn: 14449290
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14449290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Thienopyrimidines 2,3,5-trisubstituted thiophenes Phenylmethylamines Benzonitriles Benzylamines Aminopyrimidines and derivatives Aralkylamines Fluorobenzenes Aryl chlorides Imidolactams Aryl fluorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Nitriles Hydrocarbon derivatives Organochlorides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-benzylpiperidine - Thienopyrimidine - Benzonitrile - Benzylamine - Phenylmethylamine - 2,3,5-trisubstituted thiophene - Aralkylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Imidolactam - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Pyrimidine - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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)

HTR2B Tclin 5-hydroxytryptamine receptor 2B (2 Activities)

Discover Target: HTR2B

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

HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

Discover Target: HTR2B

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO
• Peso molecular: 401.900 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 401.088 Da
• Monoisotopic Mass: 401.088 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 551.000
• 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