Epinastine HCl - 10mM in DMSO , Histamine H1 receptor antagonist, CAS No.108929-04-0, Histamine H1 receptor antagonist

CAS: 108929-04-0 Cat. No.: E420557 Formula: C₁₆H₁₅N₃.HCl Peso molecolare: 285.77 Numero EC: 629-843-8

GRADE & PURITY 10mM in DMSO

Synonyms

CCG-221805 | NCGC00261186-01 | Tox21_112263 | A857231 | DTXCID9026502 | EPINASTINE HYDROCHLORIDE [MI] | Tox21_500501 | Epinastine (hydrochloride) | Epinastine monohydrochloride | Tox21_112263_1 | Alesion | Elestat (TN) | WAL-801CL | AKOS015967222 | HY-B06

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

A tetracyclic, histamine H1 receptor antagonist.

Specifications

Sinonimi

CCG-221805 | NCGC00261186-01 | Tox21_112263 | A857231 | DTXCID9026502 | EPINASTINE HYDROCHLORIDE [MI] | Tox21_500501 | Epinastine (hydrochloride) | Epinastine monohydrochloride | Tox21_112263_1 | Alesion | Elestat (TN) | WAL-801CL | AKOS015967222 | HY-B06

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Epinastine Hydrochloride is a tetracyclic, histamine H1 receptor antagonist that blocks the release of histamine from mast cells.Antihistamine. Highly selective, non-sedating H 1 histamine receptor antagonist. Mast cell stabilizer used in eye drops to tre

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Histamine H1 receptor antagonist

Nomi e identificatori

• Pubchem Sid: 528769973
• Sorrisi canonici: C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N.Cl
• IUPAC Name: 2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride
• InChIKey: VKXSGUIOOQPGAF-UHFFFAOYSA-N
• INCHI: 1S/C16H15N3.ClH/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16;/h1-8,15H,9-10H2,(H2,17,18);1H
• Isomeri SMILES: C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N.Cl
• WGK Germania: 3
• RTECS: HO4360000
• CAS alternativo: 80012-44-8,108929-04-0,80012-43-7 (Parent)
• Termini MeSH: 3-amino-9,13b-dihydro-1H-benz(c,f)imidazo(1,5a)azepine;epinastine;epinastine hydrochloride;Flurinol;WAL 80;WAL 801;WAL 801 CL;WAL 801CL;WAL-80 Cl
• Peso molecolare: 285.77
• Reaxy-Rn: 3576207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3576207&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Azepines Benzenoids Imidazolines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Azepine - Benzenoid - 2-imidazoline - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
• External Descriptors: hydrochloride

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture & Heat sensitive
• Punto di fusione (°C): 275 °C(dec.)
• Peso molecolare: 285.770 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 285.103 Da
• Monoisotopic Mass: 285.103 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 378.000
• 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

Riferimenti

1. Shiyan Liu, Xuefeng Zhang, Xin Gong, Jinxin Yu, Tao Lin, Qian Xiang, Xinnian Zeng, Jiali Liu.  (2025)  molecular and pharmacological characterization of the dopamine receptors in the oriental fruit fly, Bactrocera dorsalis.  INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY,      [PMID:40245998] [10.1016/j.ibmb.2025.104312]