Evacetrapib
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MedKoo CAT#: 510227

CAS#: 1186486-62-3

Description: Evacetrapib, also known as LY2484595, is a CETP inhibitor currently under development by Eli Lilly & Company. LY2484595 inhibits cholesterylester transfer protein, which transfers and thereby increases high-density lipoprotein and lowers low-density lipoprotein. It is thought that modifying lipoprotein levels modifies the risk of cardiovascular disease. The first CETP inhibitor, torcetrapib, was unsuccessful because it increased levels of the hormone aldosterone and increased blood pressure, which led to excess cardiac events when it was studied. Evacetrapib does not have the same effect. When studied in a small clinical trial in people with elevated LDL and low HDL, significant improvements were noted in their lipid profile. (Source: http://en.wikipedia.org/wiki/Evacetrapib).


Chemical Structure

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Evacetrapib
CAS# 1186486-62-3

Theoretical Analysis

MedKoo Cat#: 510227
Name: Evacetrapib
CAS#: 1186486-62-3
Chemical Formula: C31H36F6N6O2
Exact Mass: 638.28039
Molecular Weight: 638.65
Elemental Analysis: C, 58.30; H, 5.68; F, 17.85; N, 13.16; O, 5.01

Price and Availability

Size Price Availability Quantity
100.0mg USD 1650.0 2 weeks
200.0mg USD 2950.0 2 weeks
500.0mg USD 3950.0 2 weeks
1.0g USD 4950.0 2 weeks
2.0g USD 7950.0 2 Weeks
Bulk inquiry

Synonym: LY2484595; LY 2484595; LY-2484595; Evacetrapib.

IUPAC/Chemical Name: (1S,4r)-4-(((S)-5-((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)-7,9-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methyl)cyclohexanecarboxylic acid

InChi Key: IHIUGIVXARLYHP-YBXDKENTSA-N

InChi Code: InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20-,22-,26-/m0/s1

SMILES Code: O=C([C@H]1CC[C@H](CN2C3=C(C)C=C(C)C=C3[C@@H](N(CC4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C5=NN(C)N=N5)CCC2)CC1)O

Appearance: white solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Product Data:

Biological target: Evacetrapib is a CETP inhibitor, which inhibits human recombinant CETP protein (IC50 5.5 nM) and CETP activity in human plasma (IC50 36 nM) in vitro.
In vitro activity: The in vitro activity of evacetrapib against CETP was first tested in the buffer CETP assay, in which human recombinant CETP protein was used as the source for the protein activity. The concentration of the compound causing half-maximum inhibition of CETP activity in this assay was 5.5 nM. This compares to 25.2 nM for torcetrapib and 21.5 nM for anacetrapib in the same assay. Reference: J Lipid Res. 2011 Dec;52(12):2169-2176. https://pubmed.ncbi.nlm.nih.gov/21957197/
In vivo activity: Evacetrapib administered orally at 30 mg/kg resulted in 98.4%, 98.6%, and 18.4% inhibition of CETP activity at 4, 8 and 24 h post dose respectively. Evacetrapib dosed orally at 30 mg/kg resulted in 129.7% increase in HDL-C 8 h after oral administration (Fig. 2A, B). The efficacy of evacetrapib was comparable to that of torcetrapib. Reference: J Lipid Res. 2011 Dec;52(12):2169-2176. https://pubmed.ncbi.nlm.nih.gov/21957197/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 47.6 74.53
DMF 30.0 46.97
Ethanol 21.4 33.51

Preparing Stock Solutions

The following data is based on the product molecular weight 638.65 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Cao G, Beyer TP, Zhang Y, Schmidt RJ, Chen YQ, Cockerham SL, Zimmerman KM, Karathanasis SK, Cannady EA, Fields T, Mantlo NB. Evacetrapib is a novel, potent, and selective inhibitor of cholesteryl ester transfer protein that elevates HDL cholesterol without inducing aldosterone or increasing blood pressure. J Lipid Res. 2011 Dec;52(12):2169-2176. doi: 10.1194/jlr.M018069. Epub 2011 Sep 25. PMID: 21957197; PMCID: PMC3220285.
In vitro protocol: 1. Cao G, Beyer TP, Zhang Y, Schmidt RJ, Chen YQ, Cockerham SL, Zimmerman KM, Karathanasis SK, Cannady EA, Fields T, Mantlo NB. Evacetrapib is a novel, potent, and selective inhibitor of cholesteryl ester transfer protein that elevates HDL cholesterol without inducing aldosterone or increasing blood pressure. J Lipid Res. 2011 Dec;52(12):2169-2176. doi: 10.1194/jlr.M018069. Epub 2011 Sep 25. PMID: 21957197; PMCID: PMC3220285.
In vivo protocol: 1. Cao G, Beyer TP, Zhang Y, Schmidt RJ, Chen YQ, Cockerham SL, Zimmerman KM, Karathanasis SK, Cannady EA, Fields T, Mantlo NB. Evacetrapib is a novel, potent, and selective inhibitor of cholesteryl ester transfer protein that elevates HDL cholesterol without inducing aldosterone or increasing blood pressure. J Lipid Res. 2011 Dec;52(12):2169-2176. doi: 10.1194/jlr.M018069. Epub 2011 Sep 25. PMID: 21957197; PMCID: PMC3220285.

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1: Suico JG, Friedrich S, Krueger KA, Zhang W. Evacetrapib at a Supratherapeutic Steady State Concentration Does Not Prolong QT in a Thorough QT/QTc Study in Healthy Participants. J Cardiovasc Pharmacol Ther. 2013 Nov 22. [Epub ahead of print] PubMed PMID: 24271137.

2: Steen DL, Cannon CP. Atherosclerosis. Effects of evacetrapib administered as monotherapy or in combination with statins. Rev Cardiovasc Med. 2012;13(1):e48-51. PubMed PMID: 22754969.

3: Nicholls SJ. Evacetrapib. Curr Cardiol Rep. 2012 Jun;14(3):245-50. doi: 10.1007/s11886-012-0252-3. Review. PubMed PMID: 22362199.

4: Mearns BM. Pharmacotherapy: Beneficial effects of evacetrapib. Nat Rev Cardiol. 2011 Nov 29;9(1):6. doi: 10.1038/nrcardio.2011.193. PubMed PMID: 22124317.

5: Nicholls SJ, Brewer HB, Kastelein JJ, Krueger KA, Wang MD, Shao M, Hu B, McErlean E, Nissen SE. Effects of the CETP inhibitor evacetrapib administered as monotherapy or in combination with statins on HDL and LDL cholesterol: a randomized controlled trial. JAMA. 2011 Nov 16;306(19):2099-109. doi: 10.1001/jama.2011.1649. PubMed PMID: 22089718.

6: Cao G, Beyer TP, Zhang Y, Schmidt RJ, Chen YQ, Cockerham SL, Zimmerman KM, Karathanasis SK, Cannady EA, Fields T, Mantlo NB. Evacetrapib is a novel, potent, and selective inhibitor of cholesteryl ester transfer protein that elevates HDL cholesterol without inducing aldosterone or increasing blood pressure. J Lipid Res. 2011 Dec;52(12):2169-76. doi: 10.1194/jlr.M018069. Epub 2011 Sep 25. PubMed PMID: 21957197; PubMed Central PMCID: PMC3220285.

Evacetrapib

100.0mg / USD 1650.0


Additional Information

Evacetrapib is one of two CETP inhibitors currently being evaluated (the other being anacetrapib). Two other CETP inhibitors (torcetrapib and dalcetrapib) were discontinued during trials due to increased deaths and little identifiable cardiovascular benefit (despite substantial increases in HDL). Some hypothesize that CETP inhibitors may still be useful in the treatment of dyslipidemia, though significant caution is warranted. (source: http://en.wikipedia.org/wiki/Evacetrapib).