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 分子式: C₁₆H₁₅N₃.HCl 分子量: 285.77 EC番号: 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

概要

A tetracyclic, histamine H1 receptor antagonist.

Specifications

同義語

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

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

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

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ANTAGONIST

作用メカニズム

Histamine H1 receptor antagonist

名前と識別子

• パブケム・シド: 528769973
• カノニカル・スマイル: 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
• 異性体SMILES: C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N.Cl
• WGKドイツ: 3
• RTECS: HO4360000
• 代替CAS番号: 80012-44-8,108929-04-0,80012-43-7 (Parent)
• MeSH用語: 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
• 分子量: 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
    • 分類 Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture & Heat sensitive
• 融点（°C）: 275 °C(dec.)
• 分子量: 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

参考文献

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]