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MedKoo Cat#: 317129 | Name: Setipiprant
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Description:

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

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

Setipiprant
CAS#866460-33-5

Theoretical Analysis

MedKoo Cat#: 317129

Name: Setipiprant

CAS#: 866460-33-5

Chemical Formula: C24H19FN2O3

Exact Mass: 402.1380

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
100mg USD 150.00 Ready to ship
200mg USD 250.00 Ready to ship
500mg USD 450.00 Ready to ship
1g USD 750.00 Ready to ship
2g USD 1,250.00 Ready to ship
5g USD 1,850.00 Ready to ship
10g USD 2,950.00 Ready to ship
50g USD 5,450.00 Ready to ship
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Related CAS #
No Data
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
More Info
Biological target:
Setipiprant is a CRTH2 antagonist with an IC50 value of 6.0 nM.
In vitro activity:
To be determined
In vivo activity:
This article demonstrates that setipiprant at multiple oral doses was well tolerated and reduced both the allergen-induced late asthmatic response (LAR) and the associated airway hyperresponsiveness (AHR) in allergic asthmatics. Compared with placebo, setipiprant significantly reduced the allergen-induced LAR, inhibiting the area under the response vs. time curve by, on average, 25.6% and significantly protected against the allergen-induced AHR to methacholine. Reference: Clin Exp Allergy. 2014 Aug;44(8):1044-52. https://pubmed.ncbi.nlm.nih.gov/24964348/
Solvent mg/mL mM comments
Solubility
DMSO 48.7 120.94
DMF 50.0 124.25
DMF:PBS (pH 7.2) (1:1) 0.5 1.24
Ethanol 3.0 7.45
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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
Formulation protocol:
1. 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. PMID: 24964348. 2. 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. PMID: 23721423.
In vitro protocol:
To be determined
In vivo protocol:
TBD1. 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. PMID: 24964348. 2. 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. PMID: 23721423.
1: Aissaoui H, Holdener M, Gnerre C, Niggemann K, Reber S, Richard S, Siegrist R, Boss C. Design, Synthesis, and Optimization of Indole Acetic Acid Derivatives as Potent and Selective CRTH2 Receptor Antagonists: Discovery of ACT-774312. ChemMedChem. 2023 May 16;18(10):e202300007. doi: 10.1002/cmdc.202300007. Epub 2023 Apr 14. PMID: 36888561. 2: DuBois J, Bruce S, Stewart D, Kempers S, Harutunian C, Boodhoo T, Weitzenfeld A, Chang-Lin JE. Setipiprant for Androgenetic Alopecia in Males: Results from a Randomized, Double-Blind, Placebo-Controlled Phase 2a Trial. Clin Cosmet Investig Dermatol. 2021 Oct 15;14:1507-1517. doi: 10.2147/CCID.S319676. PMID: 34703265; PMCID: PMC8526366. 3: Ocampo-Garza J, Griggs J, Tosti A. New drugs under investigation for the treatment of alopecias. Expert Opin Investig Drugs. 2019 Mar;28(3):275-284. doi: 10.1080/13543784.2019.1568989. Epub 2019 Jan 22. PMID: 30642204. 4: Kupczyk M, Kuna P. Targeting the PGD2/CRTH2/DP1 Signaling Pathway in Asthma and Allergic Disease: Current Status and Future Perspectives. Drugs. 2017 Aug;77(12):1281-1294. doi: 10.1007/s40265-017-0777-2. PMID: 28612233; PMCID: PMC5529497. 5: Ballekova J, Soltesova-Prnova M, Majekova M, Stefek M. Does inhibition of aldose reductase contribute to the anti-inflammatory action of setipiprant? Physiol Res. 2017 Sep 22;66(4):687-693. doi: 10.33549/physiolres.933516. Epub 2017 Apr 12. PMID: 28406694. 6: Ratner P, Andrews CP, Hampel FC, Martin B, Mohar DE, Bourrelly D, Danaietash P, Mangialaio S, Dingemanse J, Hmissi A, van Bavel J. Efficacy and safety of setipiprant in seasonal allergic rhinitis: results from Phase 2 and Phase 3 randomized, double-blind, placebo- and active-referenced studies. Allergy Asthma Clin Immunol. 2017 Apr 4;13:18. doi: 10.1186/s13223-017-0183-z. PMID: 28392807; PMCID: PMC5379543. 7: Krause A, Zisowsky J, Strasser DS, Gehin M, Sidharta PN, Groenen PMA, Dingemanse J. Pharmacokinetic/Pharmacodynamic Modelling of Receptor Internalization with CRTH2 Antagonists to Optimize Dose Selection. Clin Pharmacokinet. 2016 Jul;55(7):813-821. doi: 10.1007/s40262-015-0354-3. PMID: 26692193. 8: 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 22;58(20):8011-35. doi: 10.1021/acs.jmedchem.5b00824. Epub 2015 Oct 2. PMID: 26398218. 9: 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. PMID: 25323804. 10: 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. PMID: 24964348. 11: 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. PMID: 24734908. 12: 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. PMID: 24214422; PMCID: PMC3851755. 13: 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. PMID: 24095247. 14: 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. PMID: 24073896. 15: 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. PMID: 23721423.

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