WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 319538
CAS#: 942398-84-7 (HCl)
Description: Amiselimod, also known as MT1303, is a potent and selective immunosuppressant and sphingosine 1 phosphate receptor modulator. Amiselimod may be potentially useful for treatment of multiple sclerosis; inflammatory diseases; autoimmune diseases; psoriasis and inflammatory bowel diseases. Amiselimod is currently being developed by Mitsubishi Tanabe Pharma Corporation.
MedKoo Cat#: 319538
Name: Amiselimod HCl
CAS#: 942398-84-7 (HCl)
Chemical Formula: C19H31ClF3NO3
Exact Mass:
Molecular Weight: 413.91
Elemental Analysis: C, 55.14; H, 7.55; Cl, 8.56; F, 13.77; N, 3.38; O, 11.60
Related CAS #: 942399-20-4 (free base) 942398-84-7 (HCl)
Synonym: MT-1303; MT1303; MT 1303; Amiselimod HCl; Amiselimod Hydrochloride
IUPAC/Chemical Name: 2-amino-2-{2-[4-(heptyloxy)-3-(trifluoromethyl)phenyl]ethyl}propane-1,3-diol hydrochloride
InChi Key: GEDVJGOVRLHFQG-UHFFFAOYSA-N
InChi Code: InChI=1S/C19H30F3NO3.ClH/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;1H
SMILES Code: OCC(CCC1=CC=C(OCCCCCCC)C(C(F)(F)F)=C1)(N)CO.[H]Cl
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
The following data is based on the product molecular weight 413.91 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 |
1: Pérez-Jeldres T, Tyler CJ, Boyer JD, Karuppuchamy T, Yarur A, Giles DA, Yeasmin S, Lundborg L, Sandborn WJ, Patel DR, Rivera-Nieves J. Targeting Cytokine Signaling and Lymphocyte Traffic via Small Molecules in Inflammatory Bowel Disease: JAK Inhibitors and S1PR Agonists. Front Pharmacol. 2019 Mar 13;10:212. doi: 10.3389/fphar.2019.00212. eCollection 2019. Review. PubMed PMID: 30930775; PubMed Central PMCID: PMC6425155.
2: Kifuji T, Inoue S, Furukawa M, Madera BP, Goto T, Kumagai H, Mair SJ, Kawaguchi A. Absorption, Disposition and Metabolic Pathway of Amiselimod (MT-1303) in Healthy Volunteers in a Mass Balance Study. Xenobiotica. 2018 Sep 20:1-54. doi: 10.1080/00498254.2018.1525508. [Epub ahead of print] PubMed PMID: 30231665.
3: Pérez-Jeldres T, Tyler CJ, Boyer JD, Karuppuchamy T, Bamias G, Dulai PS, Boland BS, Sandborn WJ, Patel DR, Rivera-Nieves J. Cell Trafficking Interference in Inflammatory Bowel Disease: Therapeutic Interventions Based on Basic Pathogenesis Concepts. Inflamm Bowel Dis. 2019 Jan 10;25(2):270-282. doi: 10.1093/ibd/izy269. PubMed PMID: 30165490; PubMed Central PMCID: PMC6327230.
4: Dash RP, Srinivas NR, Rais R. A review of bioanalytical quantitative methods for selected sphingosine 1-phosphate receptor modulators. Biomed Chromatogr. 2018 Jan;32(1). doi: 10.1002/bmc.4109. Epub 2017 Nov 6. Review. PubMed PMID: 28990207.
5: Kappos L, Arnold DL, Bar-Or A, Camm AJ, Derfuss T, Sprenger T, Davies M, Piotrowska A, Ni P, Harada T. Two-year results from a phase 2 extension study of oral amiselimod in relapsing multiple sclerosis. Mult Scler. 2018 Oct;24(12):1605-1616. doi: 10.1177/1352458517728343. Epub 2017 Sep 15. PubMed PMID: 28911260; PubMed Central PMCID: PMC6196590.
6: Chaudhry BZ, Cohen JA, Conway DS. Sphingosine 1-Phosphate Receptor Modulators for the Treatment of Multiple Sclerosis. Neurotherapeutics. 2017 Oct;14(4):859-873. doi: 10.1007/s13311-017-0565-4. Review. PubMed PMID: 28812220; PubMed Central PMCID: PMC5722770.
7: Gusman DH, Shoemake C. Evaluation and Optimization of in silico designed Sphingosine-1-Phosphate (S1P) Receptor Subtype 1 Modulators for the Management of Multiple Sclerosis. Yale J Biol Med. 2017 Mar 29;90(1):15-23. eCollection 2017 Mar. PubMed PMID: 28356890; PubMed Central PMCID: PMC5369033.
8: Peyrin-Biroulet L, Christopher R, Behan D, Lassen C. Modulation of sphingosine-1-phosphate in inflammatory bowel disease. Autoimmun Rev. 2017 May;16(5):495-503. doi: 10.1016/j.autrev.2017.03.007. Epub 2017 Mar 7. Review. PubMed PMID: 28279838.
9: Harada T, Wilbraham D, de La Borderie G, Inoue S, Bush J, Camm AJ. Cardiac effects of amiselimod compared with fingolimod and placebo: results of a randomised, parallel-group, phase I study in healthy subjects. Br J Clin Pharmacol. 2017 May;83(5):1011-1027. doi: 10.1111/bcp.13203. Epub 2017 Jan 19. PubMed PMID: 27921320; PubMed Central PMCID: PMC5401982.
10: Sugahara K, Maeda Y, Shimano K, Mogami A, Kataoka H, Ogawa K, Hikida K, Kumagai H, Asayama M, Yamamoto T, Harada T, Ni P, Inoue S, Kawaguchi A. Amiselimod, a novel sphingosine 1-phosphate receptor-1 modulator, has potent therapeutic efficacy for autoimmune diseases, with low bradycardia risk. Br J Pharmacol. 2017 Jan;174(1):15-27. doi: 10.1111/bph.13641. Epub 2016 Nov 17. PubMed PMID: 27714763; PubMed Central PMCID: PMC5221453.
11: Fyfe I. Multiple sclerosis: Successful trial of amiselimod for multiple sclerosis. Nat Rev Neurol. 2016 Oct;12(10):554. doi: 10.1038/nrneurol.2016.128. Epub 2016 Aug 26. PubMed PMID: 27562552.
12: Kappos L, Arnold DL, Bar-Or A, Camm J, Derfuss T, Kieseier BC, Sprenger T, Greenough K, Ni P, Harada T. Safety and efficacy of amiselimod in relapsing multiple sclerosis (MOMENTUM): a randomised, double-blind, placebo-controlled phase 2 trial. Lancet Neurol. 2016 Oct;15(11):1148-59. doi: 10.1016/S1474-4422(16)30192-2. Epub 2016 Aug 16. PubMed PMID: 27543447.
13: Nielsen OH, Seidelin JB, Ainsworth M, Coskun M. Will novel oral formulations change the management of inflammatory bowel disease? Expert Opin Investig Drugs. 2016 Jun;25(6):709-18. doi: 10.1517/13543784.2016.1165204. Epub 2016 Mar 28. Review. PubMed PMID: 26967267.
Related CAS#
942398-84-7 ( Amiselimod hydrochloride);
942399-20-4 ( Amiselimod free base).
