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

CAS: 1190094-64-4 Cat. No.: C649994 分子式: C₂₉H₂₂ClN₃O₂ 分子量: 479.96 PubChem CID: 46208720

グレード＆純度 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

概要

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.

仕様

同義語

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

仕様と純度

Moligand™, ≥99%

生化学的・生理学的メカニズム

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.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

カノニカル・スマイル

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

異性体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

代替CAS番号

1190094-64-4

PubChem CID

46208720

MeSH用語

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

分子量

479.96

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (208.35 mM; Need ultrasonic)
• 分子量: 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