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

CAS: 1190094-64-4 Cat. No.: C649994 분자식: C₂₉H₂₂ClN₃O₂ 분자량: 479.96 PubChem CID: 46208720

등급 & 순도 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

개요

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.

사양

동의어

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

사양 및 순도

Moligand™, ≥99%

생화학 및 생리적 메커니즘

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.

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

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

이성체 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

대체 CAS

1190094-64-4

PubChem CID

46208720

MeSH 용어

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

분자량

479.96

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (208.35 mM; Need ultrasonic)
• 분자량: 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