DMCM hydrochloride - ≥98%(HPLC) , CAS No.1215833-62-7

CAS: 1215833-62-7 Cat. No.: D288370 分子式: C₁₇H₁₈N₂O₄•HCl 分子量: 350.8

GRADE & PURITY ≥98%(HPLC)

Synonyms

DMCM (hydrochloride) | DMCM hydrochloride | HY-100369A | 1215833-62-7 | MS-25420 | 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 4-ethyl-6,7-dimethoxy-, methyl ester, hydrochloride (1:1) | SCHEMBL19694788 | DMCMhydrochloride | methyl 4-ethyl-6,7-dimethoxy-9H-

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

同義語

DMCM (hydrochloride) | DMCM hydrochloride | HY-100369A | 1215833-62-7 | MS-25420 | 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 4-ethyl-6,7-dimethoxy-, methyl ester, hydrochloride (1:1) | SCHEMBL19694788 | DMCMhydrochloride | methyl 4-ethyl-6,7-dimethoxy-9H-

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

Benzodiazepine inverse agonist that displays anxiogenic and potent convulsant activity.

保管条件

Room temperature,Desiccated

入荷

Normal

アクションタイプ

INHIBITOR

純度

≥98%(HPLC)

名前と識別子

• カノニカル・スマイル: CCC1=C2C3=CC(=C(C=C3NC2=CN=C1C(=O)OC)OC)OC.Cl
• IUPAC Name: methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
• InChIKey: FHCRBVQGMZUJKY-UHFFFAOYSA-N
• INCHI: 1S/C17H18N2O4.ClH/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4;/h6-8,19H,5H2,1-4H3;1H
• 異性体SMILES: CCC1=C2C3=CC(=C(C=C3NC2=CN=C1C(=O)OC)OC)OC.Cl
• 分子量: 350.8
• Reaxy-Rn: 26280327
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26280327&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Pyridoindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Pyridoindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta carbolines
• Alternative Parents: Pyridinecarboxylic acids Indoles Anisoles Alkyl aryl ethers Pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Beta-carboline - Indole - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrochloride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
• 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

関連ターゲット（非人間）

Rattus norvegicus (775804 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:water, Max Conc. mg/mL: 31.43, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 7.02, Max Conc. mM: 20
• 分子量: 350.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 350.103 Da
• Monoisotopic Mass: 350.103 Da
• Topological Polar Surface Area: 73.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 433.000
• 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: 2

XLogP3