MedKoo Cat#: 317530 | Name: Cinalukast
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Cinalukast is a potent, selective CysLT1 (LTD4) leukotriene receptor antagonist. It is used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus.

Chemical Structure

Cinalukast
Cinalukast
CAS#128312-51-6

Theoretical Analysis

MedKoo Cat#: 317530

Name: Cinalukast

CAS#: 128312-51-6

Chemical Formula: C23H28N2O3S

Exact Mass: 412.1821

Molecular Weight: 412.55

Elemental Analysis: C, 66.96; H, 6.84; N, 6.79; O, 11.63; S, 7.77

Price and Availability

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10mg USD 450.00 Back order
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Synonym
Cinalukast; Ro-24-5913; Ro 24-5913; Ro24-5913; Ro-245913; Ro 245913; Ro245913;
IUPAC/Chemical Name
4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid
InChi Key
BZMKNPGKXJAIDV-VAWYXSNFSA-N
InChi Code
InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
SMILES Code
CCC(CC)(CC(=O)NC1=CC=CC(=C1)/C=C/C2=NC(=CS2)C3CCC3)C(=O)O
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 412.55 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
1: Pollinger J, Schierle S, Neumann S, Ohrndorf J, Kaiser A, Merk D. Computer- Assisted Selective Optimization of Side-Activities-from Cinalukast to a PPARα Modulator. ChemMedChem. 2019 Jul 17;14(14):1343-1348. doi: 10.1002/cmdc.201900286. Epub 2019 Jun 27. PMID: 31141287. 2: Durán Merás I, Espinosa-Mansilla A, Rodríguez DA. Complexation study of cinalukast and montelukast with cyclodextrines. J Pharm Biomed Anal. 2007 Feb 19;43(3):1025-32. doi: 10.1016/j.jpba.2006.10.007. Epub 2006 Nov 21. PMID: 17118608. 3: Singh RK, Tandon R, Dastidar SG, Ray A. A review on leukotrienes and their receptors with reference to asthma. J Asthma. 2013 Nov;50(9):922-31. doi: 10.3109/02770903.2013.823447. Epub 2013 Aug 16. PMID: 23859232. 4: Gunasinghe J, Hwang SS, Yam WK, Rahman T, Wezen XC. In-silico discovery of inhibitors against human papillomavirus E1 protein. J Biomol Struct Dyn. 2023 Jul-Aug;41(12):5583-5596. doi: 10.1080/07391102.2022.2091659. Epub 2022 Jun 24. PMID: 35751129. 5: Ruiz I, Nevers Q, Hernández E, Ahnou N, Brillet R, Softic L, Donati F, Berry F, Hamadat S, Fourati S, Pawlotsky JM, Ahmed-Belkacem A. MK-571, a Cysteinyl Leukotriene Receptor 1 Antagonist, Inhibits Hepatitis C Virus Replication. Antimicrob Agents Chemother. 2020 May 21;64(6):e02078-19. doi: 10.1128/AAC.02078-19. PMID: 32179525; PMCID: PMC7269486. 6: Adelroth E, Inman MD, Summers E, Pace D, Modi M, O'Byrne PM. Prolonged protection against exercise-induced bronchoconstriction by the leukotriene D4-receptor antagonist cinalukast. J Allergy Clin Immunol. 1997 Feb;99(2):210-5. doi: 10.1016/s0091-6749(97)70098-8. PMID: 9042047. 7: Foller M, Mahmud H, Gu S, Wang K, Floride E, Kucherenko Y, Luik S, Laufer S, Lang F. Participation of leukotriene C(4) in the regulation of suicidal erythrocyte death. J Physiol Pharmacol. 2009 Sep;60(3):135-43. PMID: 19826192. 8: Föller M, Braun M, Qadri SM, Lang E, Mahmud H, Lang F. Temperature sensitivity of suicidal erythrocyte death. Eur J Clin Invest. 2010 Jun;40(6):534-40. doi: 10.1111/j.1365-2362.2010.02296.x. Epub 2010 Apr 28. PMID: 20456488. 9: Bozkurt TE, Sahin-Erdemli I, Ilhan M. The investigation into indomethacin- induced potentiation of the contractile response to antigen in ovalbumin- sensitized guinea-pig tracheas. Fundam Clin Pharmacol. 2012 Jun;26(3):332-9. doi: 10.1111/j.1472-8206.2010.00918.x. Epub 2011 Jan 11. PMID: 21219440. 10: O'Donnell M. Ro 24-5913: a potent, specific, orally active LTD4 antagonist. Ann N Y Acad Sci. 1991;629:413-5. doi: 10.1111/j.1749-6632.1991.tb38001.x. PMID: 1659286. 11: O'Donnell M, Crowley HJ, Yaremko B, O'Neill N, Welton AF. Pharmacologic actions of Ro 24-5913, a novel antagonist of leukotriene D4. J Pharmacol Exp Ther. 1991 Nov;259(2):751-8. PMID: 1658310. 12: Welton AF, O'Donnell M, Renzetti L, Simko B, Tocker J, Cashin C, Newbold P, Wasserman MA. Studies of the combination of Ro 24-5913, a peptidoleukotriene antagonist, and Ro 24-4736, a PAF antagonist, in guinea pig and rat models of lung inflammation. Ann N Y Acad Sci. 1994 Nov 15;744:274-88. doi: 10.1111/j.1749-6632.1994.tb52745.x. PMID: 7825850. 13: Wasserman MA, Welton AF, Renzetti LM. Synergism exhibited by LTD4 and PAF receptor antagonists in decreasing antigen-induced airway microvascular leakage. Adv Prostaglandin Thromboxane Leukot Res. 1995;23:271-3. PMID: 7732851. 14: Aggarwal ND, Goldman D, Malick AW, Sethachutkul K. Degradation profile and reversed-phase LC method development of the antiinflammatory drug, Ro 24-5913. J Pharm Biomed Anal. 1993 Oct;11(10):1037-43. doi: 10.1016/0731-7085(93)80067-b. PMID: 8305586. 15: Rovati GE, Giovanazzi S, Mezzetti M, Nicosia S. Heterogeneity of binding sites for ICI 198,615 in human lung parenchyma. Biochem Pharmacol. 1992 Oct 6;44(7):1411-5. doi: 10.1016/0006-2952(92)90543-r. PMID: 1329767. 16: Maehr H, Yang R. Structure optimization of a leukotriene D4 antagonist by combinatorial chemistry in solution. Bioorg Med Chem. 1997 Mar;5(3):493-6. doi: 10.1016/s0968-0896(96)00278-7. PMID: 9113326.