NAB 2 , CAS No.1504588-00-4

CAS: 1504588-00-4 Cat. No.: N276306 분자식: C₂₃H₂₀ClN₃O 분자량: 389.88 EC 번호: 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

개요

Shipped at Room Temperature. Store at Room Temperature.

사양

동의어

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

생화학 및 생리적 메커니즘

'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

보관 조건

Room temperature

배송

Normal

작업 유형

AGONIST

이름과 식별자

정식 스마일

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)

이성체 SMILES

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

분자량

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
    • 분류 Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO to\xa0100 mM and in ethanol to\xa0100 mM
• 분자량: 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

자주 묻는 질문

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.