CKD-519 - ≥99% , Cholesteryl ester transfer protein inhibitor, CAS No.1402796-27-3, Cholesteryl ester transfer protein inhibitor

CAS: 1402796-27-3 Cat. No.: C651033 Peso molecular: 601.60 PubChem CID: 70674853

GRADE & PURITY ≥99%

Synonyms

CKD-519 | DB15437 | Rocacetrapib [INN] | GBHPDJQHZADVAA-SOKVYYICSA-N | UNII-K9SP3L3YQP | 2-Oxazolidinone, 5-(3,5-bis(trifluoromethyl)phenyl)-3-((2-(4-fluoro-2-methoxy-5-(1-methylethyl)phenyl)-5,5-dimethyl-1-cyclohexen-1-yl)methyl)-4-methyl-, (4S,5R)- | 14

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

CKD-519 is a selective and potent cholesteryl ester transfer protein (CETP) inhibitor, which inhibits CETP-mediated transfer of cholesteryl ester in human serum with an IC 50 of 2.3 nM

Form:Solid

IC50& Target:IC50: 2.3 nM (Cholesteryl ester transfer protein)

Specifications

Sinónimos

CKD-519 | DB15437 | Rocacetrapib [INN] | GBHPDJQHZADVAA-SOKVYYICSA-N | UNII-K9SP3L3YQP | 2-Oxazolidinone, 5-(3, 5-bis(trifluoromethyl)phenyl)-3-((2-(4-fluoro-2-methoxy-5-(1-methylethyl)phenyl)-5, 5-dimethyl-1-cyclohexen-1-yl)methyl)-4-methyl-, (4S, 5R)- | 14

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

CKD-519 is a selective and potent cholesteryl ester transfer protein (CETP) inhibitor, which inhibits CETP-mediated transfer of cholesteryl ester in human serum with an IC 50 of 2.3 nM.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Cholesteryl ester transfer protein inhibitor

Pureza

≥99%

Propiedades del producto

• ALogP: 8.2

Nombres e identificadores

• Sonrisas canónicas: CC1C(OC(=O)N1CC2=C(CCC(C2)(C)C)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
• IUPAC Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
• InChIKey: GBHPDJQHZADVAA-SOKVYYICSA-N
• INCHI: 1S/C31H34F7NO3/c1-16(2)23-12-24(26(41-6)13-25(23)32)22-7-8-29(4,5)14-19(22)15-39-17(3)27(42-28(39)40)18-9-20(30(33,34)35)11-21(10-18)31(36,37)38/h9-13,16-17,27H,7-8,14-15H2,1-6H3/t17-,27-/m0/s1
• Isómeros SMILES: C[C@H]1[C@H](OC(=O)N1CC2=C(CCC(C2)(C)C)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
• CAS alternativo: 1402796-27-3
• PubChem CID: 70674853
• Términos de entrada MeSH: CKD-519
• Peso molecular: 601.60

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Phenylpropanes Cumenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Oxazolidinones Aryl fluorides Carbamate esters Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethylbenzene - Cumene - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Oxazolidinone - Oxazolidine - Carbamic acid ester - Organoheterocyclic compound - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 66.67 mg/mL (110.82 mM; Need ultrasonic)
• Peso molecular: 601.600 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 601.243 Da
• Monoisotopic Mass: 601.243 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 985.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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