RBC10 - ≥98% , CAS No.362503-73-9

CAS: 362503-73-9 Cat. No.: R412947 분자식: C₂₄H₂₅ClN₂O₂ 분자량: 408.9 PubChem CID: 22330351

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

RBC10 is an inhibitor of Ral binding to RALBP1 (the effector).

Specifications

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

RBC10 is an inhibitor of Ral binding to RALBP1 (the effector).

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 528766860
• 정식 스마일: CCCCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CC=C4Cl
• IUPAC Name: 6-(2-chlorophenyl)-5-pentanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
• InChIKey: XERBEDAMDXRGFD-UHFFFAOYSA-N
• INCHI: 1S/C24H25ClN2O2/c1-2-3-15-22(29)27-20-13-7-6-11-18(20)26-19-12-8-14-21(28)23(19)24(27)16-9-4-5-10-17(16)25/h4-7,9-11,13,24,26H,2-3,8,12,14-15H2,1H3
• 이성체 SMILES: CCCCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=CC=C4Cl
• PubChem CID: 22330351
• 분자량: 408.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzodiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodiazepines
• Alternative Parents: Secondary alkylarylamines Cyclohexenones Chlorobenzenes 1,4-diazepines Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Amino acids and derivatives Enamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodiazepine - Para-diazepine - Chlorobenzene - Cyclohexenone - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Ketone - Carboxamide group - Azacycle - Secondary amine - Enamine - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organohalogen compound - Amine - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
• 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

화학 및 물리적 특성

• 분자량: 408.900 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 408.16 Da
• Monoisotopic Mass: 408.16 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 661.000
• 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: 1