CP-532623 , CAS No.261947-38-0

CAS: 261947-38-0 Cat. No.: C648667 Formula: C₂₇H₂₇F₉N₂O₃ Peso molecolare: 598.5 Numero EC: 809-041-6 PubChem CID: 10145345

Synonyms

PD039943 | 1(2H)-Quinolinecarboxylic acid, 4-(acetyl((3,5-bis(trifluoromethyl)phenyl)methyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester, (2R,4S)- | CP 532623, >=98% (HPLC) | (2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

CP-532623 is a CETP inhibitor and elevates high-density lipoprotein cholesterolion. CP-532623 is a close structural analogue of Torcetrapib. CP-532623 has highly lipophilic properties

In Vitro

CP-532623 is highly lymphatically transported (28% of dose), and lymphatic transport is closely correlated with drug affinity for ex-vivo lymph lipoproteins or triglyceride emulsions and poorly relates to solubility in mixtures of lipoprotein core and/or surface lipids. CP-532623 alters the kinetics of lymph lipid transport and decreases lymph lipid transport in chylomicrons. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

CP-532623 (50 mg; oral administration; adult male greyhound dogs) treatment substantially transports into the lymphatic system (>25% dose) in fed and fasted dogs. Food enhances oral bioavailability (from 44 to 58%, respectively) and the proportion of the absorbed dose transports via the lymph (from 61 to 86% and from 68 to 83%, respectively). Lymphatic triglyceride transport is significantly lower in fed dogs administered CP-532623. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Adult male greyhound dogs (27-39 kg)Dosage: 50 mg Administration: Oral administration with a long-chain lipid formulation to fed lymphcannulated Result: Substantially transported into the lymphatic system (>25% dose) in fed and fasted dogs. Food enhanced oral bioavailability and the proportion of the absorbed dose transported via the lymph.

Form:Solid

IC50& Target:CETP

Specifications

Sinonimi

PD039943 | 1(2H)-Quinolinecarboxylic acid, 4-(acetyl((3,5-bis(trifluoromethyl)phenyl)methyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester, (2R,4S)- | CP 532623, >=98% (HPLC) | (2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-

Meccanismi biochimici e fisiologici

CP-532623 is a CETP inhibitor and elevates high-density lipoprotein cholesterolion. CP-532623 is a close structural analogue of Torcetrapib. CP-532623 has highly lipophilic properties.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

• Sorrisi canonici: CCC1CC(C2=C(N1C(=O)OC(C)C)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C
• IUPAC Name: propan-2-yl (2R,4S)-4-[acetyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
• InChIKey: TUPKOWFPVAXQFP-OFNKIYASSA-N
• INCHI: 1S/C27H27F9N2O3/c1-5-20-12-23(21-11-17(25(28,29)30)6-7-22(21)38(20)24(40)41-14(2)3)37(15(4)39)13-16-8-18(26(31,32)33)10-19(9-16)27(34,35)36/h6-11,14,20,23H,5,12-13H2,1-4H3/t20-,23+/m1/s1
• Isomeri SMILES: CC[C@@H]1C[C@@H](C2=C(N1C(=O)OC(C)C)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C
• WGK Germania: 3
• PubChem CID: 10145345
• Peso molecolare: 598.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Hydroquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Hydroquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolines
• Alternative Parents: Trifluoromethylbenzenes Tertiary carboxylic acid amides Carbamate esters Acetamides Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Trifluoromethylbenzene - Tetrahydroquinoline - Monocyclic benzene moiety - Benzenoid - Acetamide - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms.
• 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

Obiettivi associati (umani)

CETP Tchem Cholesteryl ester transfer protein (1 Activities)

Discover Target: CETP

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CETP Tchem Cholesteryl ester transfer protein (2422 Activities)

Discover Target: CETP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 598.500 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 598.188 Da
• Monoisotopic Mass: 598.188 Da
• Topological Polar Surface Area: 49.900 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 899.000
• 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

Domande frequenti

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 261947-38-0, the molecular formula is C27H27F9N2O3, and the molecular weight is 598.5 g/mol. InChIKey TUPKOWFPVAXQFP-OFNKIYASSA-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.