CP-609754 - Moligand™,≥99% , CAS No.1190094-64-4

CAS: 1190094-64-4 Cat. No.: C649994 Formule: C₂₉H₂₂ClN₃O₂ Poids moléculaire: 479.96 PubChem CID: 46208720

QUALITÉ & PURETÉ Moligand™, ≥99%

Synonyms

CP-609754(OSI754) | OSI-754 | (R)-6-((4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-ethynylphenyl)-1-methylquinolin-2(1H)-one | EX-A4802 | AKOS040756201 | 2(1H)-QUINOLINONE, 6-((R)-(4-CHLOROPHENYL)HYDROXY(1-METHYL-1H-IMIDAZOL-5-YL)METHYL

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

CP-609754 is a potent and reversible farnesyltransferase inhibitor with potential anticancer activity.The IC50 for inhibiting farnesylation of recombinant human H-Ras is 0.57 ng/mL and recombinant K-Ras is 46 ng/mL[1]. CP-609754 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Spécifications

Synonymes

CP-609754(OSI754) | OSI-754 | (R)-6-((4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-ethynylphenyl)-1-methylquinolin-2(1H)-one | EX-A4802 | AKOS040756201 | 2(1H)-QUINOLINONE, 6-((R)-(4-CHLOROPHENYL)HYDROXY(1-METHYL-1H-IMIDAZOL-5-YL)METHYL

Spécifications et pureté

Moligand™, ≥99%

Mécanismes biochimiques et physiologiques

CP-609754 (LNK-754) is a potent and reversible farnesyltransferase inhibitor with potential anticancer activity.The IC 50 for inhibiting farnesylation of recombinant human H-Ras is 0.57 ng/mL and recombinant K-Ras is 46 ng/mL.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

Sourires canoniques

CN1C=NC=C1C(C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC=CC(=C5)C#C)C)O

IUPAC Name

6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one

InChIKey

JAHDAIPFBPPQHQ-GDLZYMKVSA-N

INCHI

1S/C29H22ClN3O2/c1-4-19-6-5-7-20(14-19)24-16-28(34)33(3)26-13-10-22(15-25(24)26)29(35,27-17-31-18-32(27)2)21-8-11-23(30)12-9-21/h1,5-18,35H,2-3H3/t29-/m1/s1

Isomères SMILES

CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC=CC(=C5)C#C)C)O

CAS alternatif

1190094-64-4

PubChem CID

46208720

Termes d'entrée MeSH

CP 609,754;CP 609754;CP-609,754;CP-609754

Poids moléculaire

479.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Diarylheptanoids
      • Subclass Linear diarylheptanoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Diarylheptanoids
• Subclass: Linear diarylheptanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear diarylheptanoids
• Alternative Parents: Phenylquinolines Phenylpyridines Hydroquinolones Hydroquinolines Pyridinones Chlorobenzenes Aryl chlorides N-substituted imidazoles Tertiary alcohols Heteroaromatic compounds Lactams Azacyclic compounds Acetylides Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Linear 1,7-diphenylheptane skeleton - Phenylquinoline - 4-phenylpyridine - Dihydroquinolone - Dihydroquinoline - Quinoline - Chlorobenzene - Halobenzene - Pyridinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Azole - Imidazole - Lactam - Organoheterocyclic compound - Azacycle - Acetylide - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
• 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (208.35 mM; Need ultrasonic)
• Poids moléculaire: 480.000 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 479.14 Da
• Monoisotopic Mass: 479.14 Da
• Topological Polar Surface Area: 58.400 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 874.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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