Pradigastat free acid

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MedKoo CAT#: 319505

CAS#: 956136-95-1 (free acid)

Description: Pradigastat, also known as LCQ-908, is potent and oral DGAT1 inhibitor. Pradigastat is being developed for the treatment of familial chylomicronemia syndrome. Familial chylomicronemia syndrome (FCS) is a rare lipid disease caused by complete lipoprotein lipase (LPL) deficiency resulting in fasting chylomicronemia and severe hypertriglyceridemia. Inhibition of diacylglycerol acyltransferase 1 (DGAT1), which mediates chylomicron triglyceride (TG) synthesis, is an attractive strategy to reduce TG levels in FCS .


Chemical Structure

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Pradigastat free acid
CAS# 956136-95-1 (free acid)

Theoretical Analysis

MedKoo Cat#: 319505
Name: Pradigastat free acid
CAS#: 956136-95-1 (free acid)
Chemical Formula: C25H24F3N3O2
Exact Mass: 455.18206
Molecular Weight: 455.48121
Elemental Analysis: C, 65.92; H, 5.31; F, 12.51; N, 9.23; O, 7.03

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Related CAS #: 956136-95-1 (free acid)   956136-98-4 (sodium)    

Synonym: LCQ-908; LCQ908; LCQ 908; Pradigastat

IUPAC/Chemical Name: 2-((1s,4s)-4-(4-(5-((6-(trifluoromethyl)pyridin-3-yl)amino)pyridin-2-yl)phenyl)cyclohexyl)acetic acid

InChi Key: GXALXAKNHIROPE-CALCHBBNSA-N

InChi Code: InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17+

SMILES Code: FC(F)(C1=NC=C(NC2=CN=C(C3=CC=C([C@H](CC4)CC[C@H]4CC(O)=O)C=C3)C=C2)C=C1)F

Appearance: 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

Preparing Stock Solutions

The following data is based on the product molecular weight 455.48121 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

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1: Mendonza A, Hanna I, Meyers D, Koo P, Neelakantham S, Zhu B, Majumdar T, Rebello S, Sunkara G, Chen J. Assessment of pharmacokinetic drug-drug interaction between pradigastat and atazanavir or probenecid. J Clin Pharmacol. 2015 Jul 19. doi: 10.1002/jcph.595. [Epub ahead of print] PubMed PMID: 26189431.

2: Ayalasomayajula SP, Meyers CD, Yu J, Kagan M, Matott R, Pal P, Majumdar T, Su Z, Crissey A, Rebello S, Sunkara G, Chen J. Evaluation of food effect on the oral bioavailability of pradigastat, a diacylglycerol acyltransferase 1 inhibitor. Biopharm Drug Dispos. 2015 Oct;36(7):452-61. doi: 10.1002/bdd.1958. Epub 2015 Jun 5. PubMed PMID: 25963481.

3: Meyers CD, Tremblay K, Amer A, Chen J, Jiang L, Gaudet D. Effect of the DGAT1 inhibitor pradigastat on triglyceride and apoB48 levels in patients with familial chylomicronemia syndrome. Lipids Health Dis. 2015 Feb 18;14:8. doi: 10.1186/s12944-015-0006-5. PubMed PMID: 25889044; PubMed Central PMCID: PMC4337059.

4: Meyers CD, Amer A, Majumdar T, Chen J. Pharmacokinetics, pharmacodynamics, safety, and tolerability of pradigastat, a novel diacylglycerol acyltransferase 1 inhibitor in overweight or obese, but otherwise healthy human subjects. J Clin Pharmacol. 2015 Sep;55(9):1031-41. doi: 10.1002/jcph.509. Epub 2015 May 27. PubMed PMID: 25854859.

5: Chen J, Bhansali S, Neelakantham S, Trusley C, Majumdar T, Rebello S, Sunkara G, Meyers C. Effect of pradigastat, a diacylglycerol acyltransferase 1 inhibitor, on the pharmacokinetics of a combination oral contraceptive in healthy female subjects. Int J Clin Pharmacol Ther. 2015 Apr;53(4):317-24. doi: 10.5414/CP202288. PubMed PMID: 25740268.

6: Kulmatycki K, Hanna I, Meyers D, Salunke A, Movva A, Majumdar T, Natrillo A, Vapurcuyan A, Rebello S, Sunkara G, Chen J. Evaluation of a potential transporter-mediated drug interaction between rosuvastatin and pradigastat, a novel DGAT-1 inhibitor. Int J Clin Pharmacol Ther. 2015 May;53(5):345-55. doi: 10.5414/CP202275. PubMed PMID: 25740267.

7: Ayalasomayajula S, Meyers D, Koo P, Salunke A, Majumdar T, Rebello S, Sunkara G, Chen J. Assessment of pharmacokinetic drug-drug interaction between pradigastat and acetaminophen in healthy subjects. Eur J Clin Pharmacol. 2015 Apr;71(4):425-32. doi: 10.1007/s00228-015-1822-2. Epub 2015 Mar 1. PubMed PMID: 25724644.

8: Hirano M, Meyers D, Golla G, Pal P, Pinot P, Lin T, Majumdar T, Rebello S, Sunkara G, Chen J. Effect of Hepatic Impairment on the Pharmacokinetics of Pradigastat, a Diacylglycerol Acyltransferase 1 (DGAT1) Inhibitor. Clin Pharmacokinet. 2015 Jul;54(7):761-70. doi: 10.1007/s40262-015-0235-9. PubMed PMID: 25633714.

9: Mita S, Meyers D, Pal P, Lin T, Majumdar T, Rebello S, Sunkara G, Chen J. Effect of Renal Impairment on the Pharmacokinetics of Pradigastat, a Novel Diacylglycerol Acyltransferase1 (DGAT1) Inhibitor. Clin Pharmacokinet. 2015 Jul;54(7):751-60. doi: 10.1007/s40262-015-0234-x. PubMed PMID: 25627776.

10: Jian Z, Ray T, Wu A, Jones L, Forseth R. Proton exchange reactions in isotope chemistry (II) synthesis of stable isotope-labeled LCQ908. J Labelled Comp Radiopharm. 2014 Oct;57(12):670-3. doi: 10.1002/jlcr.3226. Epub 2014 Oct 14. PubMed PMID: 25314622.

11: Yan JH, Meyers D, Lee Z, Danis K, Neelakantham S, Majumdar T, Rebello S, Sunkara G, Chen J. Pharmacokinetic and pharmacodynamic drug-drug interaction assessment between pradigastat and digoxin or warfarin. J Clin Pharmacol. 2014 Jul;54(7):800-8. doi: 10.1002/jcph.285. Epub 2014 Mar 18. PubMed PMID: 24619917.