Fadrozole hydrochloride - ≥98%(HPLC) , Cytochrome P450 19A1 inhibitor, CAS No.102676-31-3, Cytochrome P450 19A1 inhibitor

CAS: 102676-31-3 Cat. No.: F137945 Formula: C₁₄H₁₃N₃·HCl Peso molecolare: 259.73 Numero EC: 631-311-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

BCP18654 | CCRIS 4597 | Fadrozole monohydrochloride | Tox21_303613 | FT-0775263 | NCGC00257411-01 | 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride | CGS 16949A | Fadrozole.HCl | Arensin | CGS16949A | FADROZOLE HYDROCHLORIDE

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Fadrozole hydrochloride is a nonsteroidal aromatase inhibitor exhibiting a very potent and selective inhibitory effect of the aromatase enzyme system in vitro and estrogen biosynthesis in vivo. Fadrozole hydrochloride has been studied as a potential breast cancer regressor due to its ability to reduce estrogen synthesis.

Specifications

Sinonimi

BCP18654 | CCRIS 4597 | Fadrozole monohydrochloride | Tox21_303613 | FT-0775263 | NCGC00257411-01 | 4-(5,6,7,8-Tetrahydroimidazo(1,5-a)pyridin-5-yl)benzonitrile monohydrochloride | CGS 16949A | Fadrozole.HCl | Arensin | CGS16949A | FADROZOLE HYDROCHLORIDE

Specifiche e purezza

≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Tipo di azione

INHIBITOR

Meccanismo d'azione

Cytochrome P450 19A1 inhibitor

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 528773868
• Sorrisi canonici: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl
• IUPAC Name: 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile;hydrochloride
• InChIKey: UKCVAQGKEOJTSR-UHFFFAOYSA-N
• INCHI: 1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
• Isomeri SMILES: C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N.Cl
• WGK Germania: 2
• RTECS: DI4952500
• Peso molecolare: 259.73
• Reaxy-Rn: 4302006
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4302006&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Benzonitriles N-substituted imidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyridine - Benzonitrile - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Carbonitrile - Nitrile - Hydrochloride - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Obiettivi associati (umani)

CYP19A1 Tclin Aromatase (4 Activities)

Discover Target: CYP19A1

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

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

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

CYP11B1 Tclin Cytochrome P450 11B1 (1750 Activities)

Discover Target: CYP11B1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 259.730 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 259.088 Da
• Monoisotopic Mass: 259.088 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 311.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3