WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H317129
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.
Hodoodo Cat#: H317129
Name: Setipiprant
CAS#: 866460-33-5
Chemical Formula: C24H19FN2O3
Exact Mass: 402.14
Molecular Weight: 402.430
Elemental Analysis: C, 71.63; H, 4.76; F, 4.72; N, 6.96; O, 11.93
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: | TBD |
In vivo activity: | TBD |
Solvent | Max Conc. mg/mL | Max Conc. mM | |
---|---|---|---|
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 |
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.
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: | TBD |
In vitro protocol: | TBD |
In vivo protocol: | TBD |
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.