Dalcetrapib

Dalcetrapib: Dalcetrapib

IUPAC name

S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate

Identifiers

CAS number 211513-37-0

PubChem 6918540

ChemSpider 5293737

Jmol-3D images Image 1

SMILES

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C

InChI

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)
Key: YZQLWPMZQVHJED-UHFFFAOYSA-N
InChI=1/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)
Key: YZQLWPMZQVHJED-UHFFFAOYAR

Properties

Molecular formula C₂₃H₃₅NO₂S

Molar mass 389.5945

Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

Infobox references

Dalcetrapib or JTT-705 is a CETP inhibitor in development by Hoffmann–La Roche.^[1] A 24 week clinical trial showed increased HDL levels.^[2]

As of 2010^[update] five phase II trials had started and there was no evidence of the raised blood pressure seen with torcetrapib.^[2]

References

^ Huang Z, Inazu A, Nohara A, Higashikata T, Mabuchi H (December 2002). "Cholesteryl ester transfer protein inhibitor (JTT-705) and the development of atherosclerosis in rabbits with severe hypercholesterolaemia". Clin. Sci. 103 (6): 587–94. PMID 12444911. http://www.clinsci.org/cs/103/0587/cs1030587.htm.

^ ^a ^b Stein et al. (2010). "Safety and tolerability of dalcetrapib (RO4607381/JTT-705): results from a 48-week trial". European heart journal 31 (4): 480–8. doi:10.1093/eurheartj/ehp601. PMC 2821630. PMID 20097702. http://eurheartj.oxfordjournals.org/content/31/4/480.full.

v · d · eLipid modifying agents (C10)

GI tract

Cholesterol absorption inhibitors, NPC1L1

Ezetimibe • SCH-48461

Bile acid sequestrants/resins (LDL)

Cholestyramine • Colestipol • Colestilan • Colextran • Colesevelam

Liver

Statins (HMG-CoA reductase, LDL)

Simvastatin^# • Atorvastatin • Fluvastatin • Lovastatin • Mevastatin • Pitavastatin • Pravastatin • Rosuvastatin • Cerivastatin^‡

Niacin and derivatives (HDL and LDL)

Niceritrol • Niacin • Nicofuranose • Aluminium nicotinate • Nicotinyl alcohol • Acipimox

Blood vessels

Fibrates (PPAR)

Clofibrate^‡ • Bezafibrate • Aluminium clofibrate • Gemfibrozil • Fenofibrate • Simfibrate • Ronifibrate • Ciprofibrate • Etofibrate • Clofibride • Clinofibrate

CETP inhibitors (HDL)

Anacetrapib^† • Dalcetrapib • Evacetrapib • Torcetrapib^§

Combinations
Niacin/lovastatin • Niacin/simvastatin • Ezetimibe/simvastatin • Niacin/laropiprant

Other
Dextrothyroxine • Probucol • Tiadenol • Benfluorex • Meglutol • Omega-3-triglycerides • Magnesium pyridoxal 5-phosphate glutamate • Policosanol • Lapaquistat^§ • Alipogene tiparvovec

^#WHO-EM. ^‡Withdrawn from market. Clinical trials: ^†Phase III. ^§Never to phase III

M: MET

mt, k, c/g/r/p/y/i, f/h/s/l/o/e, a/u, n, m

k, cgrp/y/i, f/h/s/l/o/e, au, n, m, epon

m(A16/C10),i(k, c/g/r/p/y/i, f/h/s/o/e, a/u, n, m)

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Dalcetrapib

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Dalcetrapib

IUPAC name S-[2-({[1-(2-ethylbutyl)cyclohexyl]carbonyl}amino)phenyl] 2-methylpropanethioate
Identifiers
CAS number	211513-37-0
PubChem	6918540
ChemSpider	5293737
Jmol-3D images	Image 1
SMILES CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C
InChI 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) Key: YZQLWPMZQVHJED-UHFFFAOYSA-N InChI=1/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) Key: YZQLWPMZQVHJED-UHFFFAOYAR
Properties
Molecular formula	C₂₃H₃₅NO₂S
Molar mass	389.5945
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

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Dalcetrapib

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