VU6015929 - ≥99% , CAS No.2442597-56-8

CAS: 2442597-56-8 Cat. No.: V413647 Fórmula: C₂₄H₁₉F₄N₅O₂ Peso molecular: 485.43 PubChem CID: 145925694

GRAU & PUREZA ≥99%

Synonyms

4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3- (trifluoromethoxy)phenyl)benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

VU6015929 VU6015929 is a selective Discoidin Domain Receptor 1/2 (DDR1/2) inhibitor with IC50 of 4.67 nM and 7.39 nM for DDR1 and DDR2, respectively. VU6015929 potently inhibits collagen-IV production.

Targets

DDR1 (Cell-free assay); DDR2 (Cell-free assay) 4.67 nM; 7.39 nM

Especificações

Sinónimos

4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3- (trifluoromethoxy)phenyl)benzamide

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

VU6015929 is a selective Discoidin Domain Receptor 1/2 (DDR1/2) inhibitor with IC50 of 4.67 nM and 7.39 nM for DDR1 and DDR2, respectively. VU6015929 potently inhibits collagen-IV production.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504773599

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773599

Sorrisos canónicos

CN1C=CC(=N1)C2=CN=CC(=C2)CNC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)OC(F)(F)F)F

IUPAC Name

4-fluoro-3-[[5-(1-methylpyrazol-3-yl)pyridin-3-yl]methylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide

InChIKey

IZKVIUJIUTXIRH-UHFFFAOYSA-N

INCHI

1S/C24H19F4N5O2/c1-33-8-7-21(32-33)17-9-15(12-29-14-17)13-30-22-10-16(5-6-20(22)25)23(34)31-18-3-2-4-19(11-18)35-24(26,27)28/h2-12,14,30H,13H2,1H3,(H,31,34)

SMILES isoméricas

CN1C=CC(=N1)C2=CN=CC(=C2)CNC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)OC(F)(F)F)F

PubChem CID

145925694

Peso molecular

485.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: 4-halobenzoic acids and derivatives Benzamides Phenylalkylamines Phenoxy compounds Phenol ethers Benzoyl derivatives Secondary alkylarylamines Fluorobenzenes Pyridines and derivatives N-acyl amines Heteroaromatic compounds Azoles Trihalomethanes Amino acids and derivatives Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Hydrazones Fluoroalkenes Dialkylamines Carboxylic acid amides Azacyclic compounds Aldimines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenylalkylamine - Phenol ether - Benzoyl - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Pyridine - N-acyl-amine - Heteroaromatic compound - Azole - Trihalomethane - Carboxamide group - Amino acid or derivatives - Azacycle - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Secondary amine - Hydrazone - Secondary aliphatic amine - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Alvos associados (humanos)

DDR2 Tchem Discoidin domain-containing receptor 2 (1 Activities)

Discover Target: DDR2

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

DDR1 Tchem Epithelial discoidin domain-containing receptor 1 (2 Activities)

Discover Target: DDR1

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

DDR1 Tchem Epithelial discoidin domain-containing receptor 1 (1050 Activities)

Discover Target: DDR1

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 98 mg/mL (201.88 mM); Ethanol: 12 mg/mL (24.72 mM); Water: Insoluble
• Peso molecular: 485.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 485.147 Da
• Monoisotopic Mass: 485.147 Da
• Topological Polar Surface Area: 81.100 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 699.000
• 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