GOT1 inhibitor 2c - ≥98% , CAS No.732973-87-4

CAS: 732973-87-4 Cat. No.: G412697 분자식: C₁₉H₁₉ClN₄O 분자량: 354.83

GRADE & PURITY ≥98%

Synonyms

GOT1 inhibitor-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

GOT1 inhibitor 2c is a non-covalent glutamate oxaloacetate transaminase 1 (GOT1) inhibitor with IC50 of 8.2 μM.

Specifications

동의어

GOT1 inhibitor-1

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

GOT1 inhibitor 2c is a non-covalent glutamate oxaloacetate transaminase 1 (GOT1) inhibitor with IC50 of 8.2 μM.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

528764633

정식 스마일

C1CN(CCN1C2=CC=CC3=C2C=CN3)C(=O)NC4=CC=C(C=C4)Cl

IUPAC Name

N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide

InChIKey

VVVZKBOSNCHQEJ-UHFFFAOYSA-N

INCHI

1S/C19H19ClN4O/c20-14-4-6-15(7-5-14)22-19(25)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-21-17/h1-9,21H,10-13H2,(H,22,25)

이성체 SMILES

C1CN(CCN1C2=CC=CC3=C2C=CN3)C(=O)NC4=CC=C(C=C4)Cl

분자량

354.83

Reaxy-Rn

33265824

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33265824&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: N-phenylureas Piperazine carboxamides Indoles Dialkylarylamines Chlorobenzenes Aryl chlorides Pyrroles Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - N-phenylurea - Indole - Indole or derivatives - Piperazine-1-carboxamide - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Urea - Tertiary amine - Carbonic acid derivative - Azacycle - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 354.800 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 354.125 Da
• Monoisotopic Mass: 354.125 Da
• Topological Polar Surface Area: 51.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 460.000
• 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