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 分子式: C₃₁H₃₄F₇NO₃ 分子量: 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

概要

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

同義語

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

仕様と純度

≥99%

生化学的・生理学的メカニズム

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.

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。

アクションタイプ

INHIBITOR

作用メカニズム

Cholesteryl ester transfer protein inhibitor

純度

≥99%

製品の性質

• ALogP: 8.2

名前と識別子

• カノニカル・スマイル: 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
• 異性体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
• 代替CAS番号: 1402796-27-3
• PubChem CID: 70674853
• MeSH用語: CKD-519
• 分子量: 601.60

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: DMSO : 66.67 mg/mL (110.82 mM; Need ultrasonic)
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1402796-27-3, the molecular formula is C31H34F7NO3, and the molecular weight is 601.60 g/mol. InChIKey GBHPDJQHZADVAA-SOKVYYICSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.