Ceralifimod
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MedKoo CAT#: 206453

CAS#: 891859-12-4

Description: Ceralifimod, also known as ONO-4641, is a next-generation sphingosine 1-phosphate (S1P) receptor agonist selective for S1P receptors 1 and 5. In vitro, ONO-4641 showed highly potent agonistic activities versus S1P receptors 1 and 5 [half maximal effective concentration (EC(50) ) values of 0·0273 and 0·334 nM, respectively]. ONO-4641 decreased peripheral blood lymphocyte counts in rats by inhibiting lymphocyte egress from secondary lymphoid tissues. ONO-4641 prevented relapse of disease in a non-obese diabetic mouse model of relapsing-remitting EAE. ONO-4641 may provide therapeutic benefits in the treatment of multiple sclerosis.


Chemical Structure

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Ceralifimod
CAS# 891859-12-4

Theoretical Analysis

MedKoo Cat#: 206453
Name: Ceralifimod
CAS#: 891859-12-4
Chemical Formula: C27H33NO4
Exact Mass: 435.24096
Molecular Weight: 435.56
Elemental Analysis: C, 74.45; H, 7.64; N, 3.22; O, 14.69

Price and Availability

Size Price Availability Quantity
10.0mg USD 110.0 Same day
25.0mg USD 245.0 Same day
50.0mg USD 440.0 Same day
100.0mg USD 750.0 Same day
200.0mg USD 1250.0 Same day
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Synonym: ONO-4641; ONO 4641; ONO4641; Ceralifimod

IUPAC/Chemical Name: 1-((6-((2-methoxy-4-propylbenzyl)oxy)-1-methyl-3,4-dihydronaphthalen-2-yl)methyl)azetidine-3-carboxylic acid

InChi Key: QDDQIPUKAXBMBX-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)

SMILES Code: CCCC1=CC=C(COC2=CC(CCC(CN3CC(C(O)=O)C3)=C4C)=C4C=C2)C(OC)=C1

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

Preparing Stock Solutions

The following data is based on the product molecular weight 435.56 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

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1: Krösser S, Wolna P, Fischer TZ, Boschert U, Stoltz R, Zhou M, Darpo B. Effect of ceralifimod (ONO-4641) on lymphocytes and cardiac function: Randomized, double-blind, placebo-controlled trial with an open-label fingolimod arm. J Clin Pharmacol. 2015 Sep;55(9):1051-60. doi: 10.1002/jcph.513. Epub 2015 May 25. PubMed PMID: 25855155.

2: Gonzalez-Cabrera PJ, Brown S, Studer SM, Rosen H. S1P signaling: new therapies and opportunities. F1000Prime Rep. 2014 Dec 1;6:109. doi: 10.12703/P6-109. eCollection 2014. Review. PubMed PMID: 25580263; PubMed Central PMCID: PMC4251414.

3: Komiya T, Sato K, Shioya H, Inagaki Y, Hagiya H, Kozaki R, Imai M, Takada Y, Maeda T, Kurata H, Kurono M, Suzuki R, Otsuki K, Habashita H, Nakade S. Efficacy and immunomodulatory actions of ONO-4641, a novel selective agonist for sphingosine 1-phosphate receptors 1 and 5, in preclinical models of multiple sclerosis. Clin Exp Immunol. 2013 Jan;171(1):54-62. doi: 10.1111/j.1365-2249.2012.04669.x. PubMed PMID: 23199323; PubMed Central PMCID: PMC3530095.

4: Sanada Y, Mizushima T, Kai Y, Nishimura J, Hagiya H, Kurata H, Mizuno H, Uejima E, Ito T. Therapeutic effects of novel sphingosine-1-phosphate receptor agonist W-061 in murine DSS colitis. PLoS One. 2011;6(9):e23933. doi: 10.1371/journal.pone.0023933. Epub 2011 Sep 8. PubMed PMID: 21931623; PubMed Central PMCID: PMC3169557.

5: Ohno T, Hasegawa C, Nakade S, Kitagawa J, Honda N, Ogawa M. The prediction of human response to ONO-4641, a sphingosine 1-phosphate receptor modulator, from preclinical data based on pharmacokinetic-pharmacodynamic modeling. Biopharm Drug Dispos. 2010 Oct;31(7):396-406. doi: 10.1002/bdd.719. PubMed PMID: 20623701.