Dalcetrapib - ≥97% , Cholesteryl ester transfer protein inhibitor, CAS No.211513-37-0, Cholesteryl ester transfer protein inhibitor

CAS: 211513-37-0 Cat. No.: D125851 Molecular Weight: 389.59 EC Number: 816-493-8

GRADE & PURITY ≥97%

Synonyms

CL8752 | S-(2-(1-(2-ethylbutyl)cyclohexanecarboxamido)phenyl) 2-methylpropanethioate | AC-27462 | 2-Methylpropanethioic acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl] ester | NCGC00386198-05 | CHEBI:95001 | PROPANETHIOIC ACID, 2-METHYL-, S-(2-((

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Dalcetrapib (JTT-705) is a rhCETP inhibitor with IC50 of 0.2 μM that increases the plasma HDL cholesterol.
A CETP inhibitor

Specifications

Synonyms

CL8752 | S-(2-(1-(2-ethylbutyl)cyclohexanecarboxamido)phenyl) 2-methylpropanethioate | AC-27462 | 2-Methylpropanethioic acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl] ester | NCGC00386198-05 | CHEBI:95001 | PROPANETHIOIC ACID, 2-METHYL-, S-(2-((

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Dalcetrapib is a CETP inhibitor for rhCETP with IC50 of 0.2 μM

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Cholesteryl ester transfer protein inhibitor

Purity

≥97%

Product Properties

• ALogP: 7.1

Names and Identifiers

• Canonical Smiles: CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C
• IUPAC Name: S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
• InChIKey: YZQLWPMZQVHJED-UHFFFAOYSA-N
• INCHI: 1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)
• Isomeric SMILES: CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C
• RTECS: TZ7260000
• Molecular Weight: 389.59
• Reaxy-Rn: 8722148
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8722148&ln=

Associated Targets(Human)

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 78 mg/mL in DMSO <1 mg/mL in Water 78 mg/mL in Ethanol
• Molecular Weight: 389.600 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 389.239 Da
• Monoisotopic Mass: 389.239 Da
• Topological Polar Surface Area: 71.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 481.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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