NAB 2 , CAS No.1504588-00-4

CAS: 1504588-00-4 Cat. No.: N276306 分子式: C₂₃H₂₀ClN₃O 分子量: 389.88 EC番号: 808-590-9

Synonyms

alphaSYN inhibitor NAB2 | alphaSYNINNAB2 | alphaSYN-IN-NAB2 | SCHEMBL16082488 | alphaSYN inhibitor-NAB2 | EN300-174351 | N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide | NAB 2 | Q27156175 | 1504588-00-4 | NAB2 | NAB-2

Storage

Room temperature

Shipped In

Normal

概要

Shipped at Room Temperature. Store at Room Temperature.

仕様

同義語

alphaSYN inhibitor NAB2 | alphaSYNINNAB2 | alphaSYN-IN-NAB2 | SCHEMBL16082488 | alphaSYN inhibitor-NAB2 | EN300-174351 | N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide | NAB 2 | Q27156175 | 1504588-00-4 | NAB2 | NAB-2

生化学的・生理学的メカニズム

'Biological description': "Promotes Rsp5/Nedd4-dependent endosomal transport. Protects against α-synuclein toxicity. \xa0Reverses the α -synuclein-induced pathological phenotype in Parkinson's disease cortical neurons.", 'CAS Number': '1504588-00-4

保管条件

Room temperature

入荷

Normal

アクションタイプ

AGONIST

名前と識別子

カノニカル・スマイル

CC1=CC(=C(C=C1)C)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CC=C4Cl

IUPAC Name

N-[(2-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)benzimidazole-5-carboxamide

InChIKey

CZSLEMCYYGEGKP-UHFFFAOYSA-N

INCHI

1S/C23H20ClN3O/c1-15-7-8-16(2)22(11-15)27-14-26-20-12-17(9-10-21(20)27)23(28)25-13-18-5-3-4-6-19(18)24/h3-12,14H,13H2,1-2H3,(H,25,28)

異性体SMILES

CC1=CC(=C(C=C1)C)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CC=C4Cl

分子量

389.88

Reaxy-Rn

27489164

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27489164&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Phenylimidazoles p-Xylenes Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - 1-phenylimidazole - P-xylene - Xylene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
• External Descriptors: monocarboxylic acid amide - monochlorobenzenes - aromatic amide - benzimidazoles

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）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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: Soluble in DMSO to\xa0100 mM and in ethanol to\xa0100 mM
• 分子量: 389.900 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 389.129 Da
• Monoisotopic Mass: 389.129 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 544.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1504588-00-4, the molecular formula is C23H20ClN3O, and the molecular weight is 389.88 g/mol. InChIKey CZSLEMCYYGEGKP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.