Amiselimod free base

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

MedKoo CAT#: 565086

CAS#: 942399-20-4 (free base)

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.

Chemical Structure

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Amiselimod free base
CAS# 942399-20-4 (free base)
Instruction

Theoretical Analysis

MedKoo Cat#: 565086
Name: Amiselimod free base
CAS#: 942399-20-4 (free base)
Chemical Formula: C19H30F3NO3
Exact Mass: 377.22
Molecular Weight: 377.450
Elemental Analysis: C, 60.46; H, 8.01; F, 15.10; N, 3.71; O, 12.72

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Related CAS #: 942399-20-4 (free base)   942398-84-7 (HCl)    

Synonym: Amiselimod; MT1303; MT-1303; MT 1303; Amiselimod free base

IUPAC/Chemical Name: 2-Amino-2-{2-[4-(heptyloxy)-3-(trifluoromethyl)phenyl]ethyl}propane-1,3-diol

InChi Key: JVCPIJKPAKAIIP-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H30F3NO3/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

SMILES Code: OCC(CCC1=CC=C(OCCCCCCC)C(C(F)(F)F)=C1)(N)CO

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

Shelf Life: >3 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:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 377.45 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:
In vitro protocol:
In vivo protocol:

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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.