Setipiprant
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MedKoo CAT#: 317129

CAS#: 866460-33-5

Description: Setipiprant, also known as ACT-129968 and KYTH-105, is a potent and selective CRTH2 antagonist. Setipiprant at multiple oral doses was well tolerated and reduced both the allergen-induced LAR and the associated AHR in allergic asthmatics. Setipiprant may be a promising target for the treatment of allergic disorders.


Chemical Structure

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Setipiprant
CAS# 866460-33-5

Theoretical Analysis

MedKoo Cat#: 317129
Name: Setipiprant
CAS#: 866460-33-5
Chemical Formula: C24H19FN2O3
Exact Mass: 402.13797
Molecular Weight: 402.43
Elemental Analysis: C, 71.63; H, 4.76; F, 4.72; N, 6.96; O, 11.93

Price and Availability

Size Price Availability Quantity
100.0mg USD 150.0 Same day
200.0mg USD 250.0 Same day
500.0mg USD 450.0 Same day
1.0g USD 750.0 Same day
2.0g USD 1250.0 Same day
5.0g USD 1850.0 Same day
10.0g USD 2950.0 Same day
50.0g USD 5450.0 Same day
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Synonym: ACT-129968; ACT 129968; ACT129968; KYTH-105; KYTH105; KYTH 105; Setipiprant

IUPAC/Chemical Name: 2-(2-(1-naphthoyl)-8-fluoro-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)acetic acid

InChi Key: IHAXLPDVOWLUOS-UHFFFAOYSA-N

InChi Code: InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)

SMILES Code: FC(C=C1)=CC2=C1N(CC(O)=O)C3=C2CN(C(C4=CC=CC5=CC=CC=C54)=O)CC3

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 402.43 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: Risch P, Pfeifer T, Segrestaa J, Fretz H, Pothier J. Verification of the Major Metabolic Oxidation Path for the Naphthoyl Group in Chemoattractant Receptor-Homologous Molecule Expressed on Th2 Cells (CRTh2) Antagonist 2-(2-(1-Naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetic Acid (Setipiprant/ACT-129968). J Med Chem. 2015 Oct 2. [Epub ahead of print] PubMed PMID: 26398218.

2: Gehin M, Sidharta PN, Gnerre C, Treiber A, Halabi A, Dingemanse J. Pharmacokinetic interactions between simvastatin and setipiprant, a CRTH2 antagonist. Eur J Clin Pharmacol. 2015 Jan;71(1):15-23. doi: 10.1007/s00228-014-1767-x. Epub 2014 Oct 18. PubMed PMID: 25323804.

3: Diamant Z, Sidharta PN, Singh D, O'Connor BJ, Zuiker R, Leaker BR, Silkey M, Dingemanse J. Setipiprant, a selective CRTH2 antagonist, reduces allergen-induced airway responses in allergic asthmatics. Clin Exp Allergy. 2014 Aug;44(8):1044-52. doi: 10.1111/cea.12357. PubMed PMID: 24964348.

4: Sidharta PN, Diamant Z, Dingemanse J. Single- and multiple-dose tolerability and pharmacokinetics of the CRTH2 antagonist setipiprant in healthy male subjects. Fundam Clin Pharmacol. 2014 Dec;28(6):690-9. doi: 10.1111/fcp.12079. Epub 2014 May 11. PubMed PMID: 24734908.

5: Hoch M, Wank J, Kluge I, Wagner-Redeker W, Dingemanse J. Disposition and metabolism of setipiprant, a selective oral CRTH2 antagonist, in humans. Drugs R D. 2013 Dec;13(4):253-69. doi: 10.1007/s40268-013-0031-7. PubMed PMID: 24214422; PubMed Central PMCID: PMC3851755.

6: Baldoni D, Mackie A, Gutierrez M, Theodor R, Dingemanse J. Setipiprant, a selective oral antagonist of human CRTH2: relative bioavailability of a capsule and a tablet formulation in healthy female and male subjects. Clin Ther. 2013 Nov;35(11):1842-8. doi: 10.1016/j.clinthera.2013.09.003. Epub 2013 Oct 4. PubMed PMID: 24095247.

7: Norman P. Update on the status of DP2 receptor antagonists; from proof of concept through clinical failures to promising new drugs. Expert Opin Investig Drugs. 2014 Jan;23(1):55-66. doi: 10.1517/13543784.2013.839658. Epub 2013 Sep 27. Review. PubMed PMID: 24073896.

8: Fretz H, Valdenaire A, Pothier J, Hilpert K, Gnerre C, Peter O, Leroy X, Riederer MA. Identification of 2-(2-(1-naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetic acid (setipiprant/ACT-129968), a potent, selective, and orally bioavailable chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2) antagonist. J Med Chem. 2013 Jun 27;56(12):4899-911. doi: 10.1021/jm400122f. Epub 2013 Jun 13. PubMed PMID: 23721423.