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CVT-11127 - 99%, high purity , CAS No.1018674-83-3
Basic Description
Synonyms
FMK13918Acetamide,N-[2-[6-[[(3,4-dichlorophenyl)methyl]amino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4(3H)-yl]ethyl]-
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
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.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
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
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
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
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-[2-[6-[(3,4-dichlorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
INCHI
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)
InChIKey
PVTIQVJHZDSETN-UHFFFAOYSA-N
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
Isomeric 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
Molecular Weight
512.39
Reaxy-Rn
18532894
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18532894&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility (25°C) In vitro DMSO: 6 mg/mL (11.7 mM); Water: Insoluble; Ethanol: Insoluble;
Molecular Weight
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
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