CVT-11127(GS-456332) - Moligand™, ≥99% , CAS No.1018674-83-3

CAS: 1018674-83-3 Cat. No.: C413122 분자식: C₂₅H₂₃Cl₂N₅O₃ 분자량: 512.39

GRADE & PURITY Moligand™, ≥99%

Synonyms

FMK13918Acetamide,N-​[2-​[6-​[[(3,​4-​dichlorophenyl)​methyl]​amino]​-​2-​(4-​methoxyphenyl)​-​3-​oxopyrido[2,​3-​b]​pyrazin-​4(3H)​-​yl]​ethyl]​- | GS-456332

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

CVT-11127 CVT-11127 (FMK13918) is an inhibitor of stearoylCoA desaturase-1 (SCD1) . CVT-11127 reduces lipid synthesis and impaires proliferation by blocking the progression of cell cycle through the G(1)/S boundary and by triggering programmed cell death.

Targets

SCD1

Specifications

동의어

FMK13918Acetamide,N-​[2-​[6-​[[(3,​4-​dichlorophenyl)​methyl]​amino]​-​2-​(4-​methoxyphenyl)​-​3-​oxopyrido[2,​3-​b]​pyrazin-​4(3H)​-​yl]​ethyl]​- | GS-456332

사양 및 순도

Moligand™, ≥99%

생화학 및 생리적 메커니즘

CVT-11127 (FMK13918) is an inhibitor of stearoylCoA desaturase-1 (SCD1). CVT-11127 reduces lipid synthesis and impaires proliferation by blocking the progression of cell cycle through the G(1)/S boundary and by triggering programmed cell death.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

정식 스마일

CC(=O)NCCN1C2=C(C=CC(=N2)NCC3=CC(=C(C=C3)Cl)Cl)N=C(C1=O)C4=CC=C(C=C4)OC

IUPAC Name

N-[2-[6-[(3,4-dichlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide

InChIKey

PVTIQVJHZDSETN-UHFFFAOYSA-N

INCHI

1S/C25H23Cl2N5O3/c1-15(33)28-11-12-32-24-21(30-23(25(32)34)17-4-6-18(35-2)7-5-17)9-10-22(31-24)29-14-16-3-8-19(26)20(27)13-16/h3-10,13H,11-12,14H2,1-2H3,(H,28,33)(H,29,31)

이성체 SMILES

CC(=O)NCCN1C2=C(C=CC(=N2)NCC3=CC(=C(C=C3)Cl)Cl)N=C(C1=O)C4=CC=C(C=C4)OC

분자량

512.39

Reaxy-Rn

18532894

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18532894&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzylaminopyridines
• Alternative Parents: N-acetyl-2-arylethylamines Pyridopyrazines Phenoxy compounds Methoxybenzenes Anisoles Dichlorobenzenes Alkyl aryl ethers Aminopyridines and derivatives Pyrazines Imidolactams Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Amines Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzylaminopyridine - N-acetyl-2-arylethylamine - Pyridopyrazine - 1,2-dichlorobenzene - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aminopyridine - Aryl halide - Imidolactam - Pyridine - Pyrazine - Aryl chloride - Heteroaromatic compound - Acetamide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine 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

관련 대상(인간)

SCD Tchem Acyl-CoA desaturase (1 Activities)

Discover Target: SCD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SCD Tchem Acyl-CoA desaturase (1011 Activities)

Discover Target: SCD

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

관련 대상(비인간)

Fads2 Fatty acid desaturase 2 (2 Activities)

Discover Target: Fads2

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

Fads1 Fatty acid desaturase 1 (2 Activities)

Discover Target: Fads1

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 6 mg/mL (11.7 mM); Water: Insoluble; Ethanol: Insoluble
• 분자량: 512.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 511.118 Da
• Monoisotopic Mass: 511.118 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 776.000
• 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