Ozanimod hydrochloride | S1PR1 & S1PR5 modulator

MedKoo Cat#: 463606 | Name: Ozanimod hydrochloride

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Description:

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

Ozanimod hydrochloride is a novel dual selective S1PR1 and S1PR5 modulator.

Chemical Structure

Ozanimod hydrochloride

CAS#1618636-37-5 (HCl)

Theoretical Analysis

MedKoo Cat#: 463606

Name: Ozanimod hydrochloride

CAS#: 1618636-37-5 (HCl)

Chemical Formula: C23H25ClN4O3

Exact Mass: 440.1615

Molecular Weight: 440.93

Elemental Analysis: C, 62.65; H, 5.72; Cl, 8.04; N, 12.71; O, 10.89

Price and Availability

Size	Price	Availability	Quantity
10mg	USD 385.00	2 Weeks

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Related CAS #

1306760-87-1 (free base) 1618636-37-5 (HCl)

Synonym

Ozanimod hydrochloride; Ozanimod HCl;

IUPAC/Chemical Name

(S)-5-(3-(1-((2-hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile hydrochloride

InChi Key

HAOOCAKHSFYDBU-BDQAORGHSA-N

InChi Code

InChI=1S/C23H24N4O3.ClH/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28;/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3;1H/t20-;/m0./s1

SMILES Code

N#CC1=CC(C2=NC(C3=CC=CC4=C3CC[C@@H]4NCCO)=NO2)=CC=C1OC(C)C.[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

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 440.93 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: Harris S, Tran JQ, Southworth H, Spencer CM, Cree BAC, Zamvil SS. Effect of the sphingosine-1-phosphate receptor modulator ozanimod on leukocyte subtypes in relapsing MS. Neurol Neuroimmunol Neuroinflamm. 2020 Jul 31;7(5):e839. doi: 10.1212/NXI.0000000000000839. PMID: 32737072; PMCID: PMC7413711. 2: Karuppuchamy T, Tyler CJ, Lundborg LR, Pérez-Jeldres T, Kimball AK, Clambey ET, Jedlicka P, Rivera-Nieves J. Sphingosine-1-Phosphate Lyase Inhibition Alters the S1P Gradient and Ameliorates Crohn's-Like Ileitis by Suppressing Thymocyte Maturation. Inflamm Bowel Dis. 2020 Jan 6;26(2):216-228. doi: 10.1093/ibd/izz174. PMID: 31807751; PMCID: PMC6943703. 3: Panés J, Salas A. Past, Present and Future of Therapeutic Interventions Targeting Leukocyte Trafficking in Inflammatory Bowel Disease. J Crohns Colitis. 2018 Aug 22;12(suppl_2):S633-S640. doi: 10.1093/ecco-jcc/jjy011. PMID: 30137311. 4: Cohen JA, Comi G, Arnold DL, Bar-Or A, Selmaj KW, Steinman L, Havrdová EK, Cree BA, Montalbán X, Hartung HP, Huang V, Frohna P, Skolnick BE, Kappos L; RADIANCE Trial Investigators. Efficacy and safety of ozanimod in multiple sclerosis: Dose-blinded extension of a randomized phase II study. Mult Scler. 2019 Aug;25(9):1255-1262. doi: 10.1177/1352458518789884. Epub 2018 Jul 25. PMID: 30043658; PMCID: PMC6681431. 5: Buc M. New biological agents in the treatment of multiple sclerosis. Bratisl Lek Listy. 2018;119(4):191-197. doi: 10.4149/BLL_2018_035. PMID: 29663814. 6: Faissner S, Gold R. Oral Therapies for Multiple Sclerosis. Cold Spring Harb Perspect Med. 2019 Jan 2;9(1):a032011. doi: 10.1101/cshperspect.a032011. PMID: 29500302; PMCID: PMC6314072. 7: Tran JQ, Hartung JP, Tompkins CA, Frohna PA. Effects of High- and Low-Fat Meals on the Pharmacokinetics of Ozanimod, a Novel Sphingosine-1-Phosphate Receptor Modulator. Clin Pharmacol Drug Dev. 2018 Aug;7(6):634-640. doi: 10.1002/cpdd.409. Epub 2017 Nov 10. PMID: 29125718; PMCID: PMC6099448. 8: Danese S, Furfaro F, Vetrano S. Targeting S1P in Inflammatory Bowel Disease: New Avenues for Modulating Intestinal Leukocyte Migration. J Crohns Colitis. 2018 Aug 22;12(suppl_2):S678-S686. doi: 10.1093/ecco-jcc/jjx107. PMID: 28961752. 9: 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. PMID: 28812220; PMCID: PMC5722770. 10: Karuppuchamy T, Behrens EH, González-Cabrera P, Sarkisyan G, Gima L, Boyer JD, Bamias G, Jedlicka P, Veny M, Clark D, Peach R, Scott F, Rosen H, Rivera- Nieves J. Sphingosine-1-phosphate receptor-1 (S1P1) is expressed by lymphocytes, dendritic cells, and endothelium and modulated during inflammatory bowel disease. Mucosal Immunol. 2017 Jan;10(1):162-171. doi: 10.1038/mi.2016.35. Epub 2016 Apr 6. PMID: 27049060; PMCID: PMC5053832.