Ozanimod hydrochloride - ≥99% , Sphingosine 1-phosphate receptor Edg-1 modulator, CAS No.1618636-37-5, Sphingosine 1-phosphate receptor Edg-1 modulator

CAS: 1618636-37-5 Cat. No.: O657032 Molecular Weight: 440.92 PubChem CID: 91618104
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
Ozanimod hydrochloride | HY-12288A | Ozanimod hcl | Ozanimod hydrochloride [USAN] | (S)-4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-N-(2-hydroxyethyl)-2,3-dihydro-1H-inden-1-aminium chloride | DTXSID201026489 | 3UPR33JAAM | ZEPOSIAStarter Kit
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
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Price
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5mg
O657032-5mg
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$288.90
10mg
O657032-10mg
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25mg
O657032-25mg
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50mg
O657032-50mg
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100mg
O657032-100mg
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$2,042.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Ozanimod (RPC-1063) hydrochloride, a sphingosine 1-phosphate (S1P) receptor modulator that binds with high affinity selectively to S1P receptor subtypes 1 (S1P1) and 5 (S1P5). Ozanimod hydrochloride has modulate effect for hS1P 1 and hS1P 5 receptor with EC 50 s of 1.03 nM and 8.6 nM, respectively. Ozanimod hydrochloride can be used for the research of relapsing multiple sclerosis (MS).

Form:Solid

IC50& Target:S1PR1 1.03 nM (EC 50 ) S1PR5 8.6 nM (EC 50 )

In Vitro:Ozanimod (RPC-1063) hydrochloride has potency and intrinsic activity of S1P receptor modulators for S1P5 across species with [ 35 S]-GTPgS binding, and the EC 50 values of 1.03 nM, 1.29 nM, 0.90 nM, 1.02 nM and 0.61 nM for Human S1P 1 , Cynomolgus monkey S1P 1 , Mouse S1P 1 , Rat S1P1 and Canine S1P 1 , respectively; and the EC 50 values of 8.6 nM, 15.9 nM, 957.5 nM, 2032.7 nM and 1662.0 nM for Human S1P 5 , Cynomolgus monkey S1P 5 , Mouse S1P 5 , Rat S1P 5 and Canine S1P 5 , respectively. Ozanimod hydrochloride restores the potency with EC 50 from 958 nM for mS1P 5 to 6.7 nM for mS1P 5 _A120T to closely mirror the EC 50 for hS1P 5 of 8.6 nM by mutating the alanine in the mouse sequence. Ozanimod hydrochloride has binding affinity with K i values of 2.0 nM, 59.9 nM and 5.6 nM for hS1P 5 , mS1P 5 and mS1P 5 _A120T, respectively. Ozanimod hydrochloride has saturation binding of [ 3 H]-ozanimod to hS1P 5 , and mS1P 5 _A120T with K D values of 6.56 nM, 7.35 nM, respectively and also has saturation binding for [ 3 H]-A971432 to S1P 5 D value of 8.75 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo:Ozanimod (RPC-1063) hydrochloride (oral gavage; 0.05, 0.2, or 1 mg/kg; once daily; for 14 consecutive days) exposures sufficient to engage S1P 1 , but not S1P 5 , resulted in reduced circulating lymphocytes, disease scores, and body weight loss; reduced inflammation, demyelination, and apoptotic cell counts in the spinal cord; and reduced circulating levels of the neuronal degeneration marker, neurofilament light [1] . Ozanimod hydrochloride (oral gavage; 5 mg/kg; once-daily) prevented axonal degradation and myelin loss during toxin challenge but did not facilitate enhanced remyelination after intoxication [1] . Ozanimod hydrochloride (oral, 1 or 5 mg/kg, for 7 days) has good pharmacokinetics in mice [1] . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Experimental Autoimmune Encephalomyelitis Model [1] Dosage: 0.05, 0.2, or 1 mg/kg Administration: oral gavage; 0.05, 0.2, or 1 mg/kg; once daily; for 14 consecutive days Result: Attenuated body weight loss, terminal disease scores were significantly attenuated with the 0.2 and 1 mg/kg doses and ALCs were significantly reduced in all dose groups. Reduced spinal cord inflammation and demyelination, as well as attenuated the number of spinal cord apoptotic cells, and significantly reduced the levels of circulating neurofilament light at the top dose of 1 mg/kg. Animal Model: Cuprizone/Rapamycin Demyelination Model [1] Dosage: 5 mg/kg Administration: oral gavage; 5 mg/kg; once-daily Result: Protected neuronal axons, preventing breakage and ovoid formation in the corpus callosum of CPZ/Rapa treated mice. Significantly attenuated the extent to which the corpus callosum demonstrated reduced myelin content as visualized by MRI. Did not result in enhanced myelin content. Animal Model: Animal Model\nC57BL/6J mice [1] Dosage: 1 or 5 mg/kg Administration: oral, 1 or 5 mg/kg, for 7 days Result: Dose Terminal body weight % versus day 1 Spinal cord inflammation Foci per 20 cells Spinal cord demyelination Score 0–5 Spinal cord apoptotic cells Count per section Plasma NfL pg/ml Vehicle (5% DMSO, 5%Tween 20, 90% water) 86.4 ± 3.2 8.50 ± 1.21 2.00 ± 0.15 2.25 ± 0.53 4.37 ± 0.89 Ozanimod (0.05 mg/kg) 85.8 ± 2.7 5.00 ± 1.03* 0.91 ± 0.21*** 1.08 ± 0.23* 3.53 ± 0.46 Ozanimod (0.2 mg/kg) 95.7 ± 3.1* 3.54 ± 0.49*** 0.73 ± 0.14 *** 0.91 ± 0.28* 2.62 ± 0.46 Ozanimod (1 mg/kg) 102.8 ± 1.8* 2.67 ± 0.56*** 0.33 ± 0.14 *** 0.60 ± 0.19** 1.91 ± 0.34**

Specifications

Synonyms
Ozanimod hydrochloride | HY-12288A | Ozanimod hcl | Ozanimod hydrochloride [USAN] | (S)-4-(5-(3-cyano-4-isopropoxyphenyl)-1, 2, 4-oxadiazol-3-yl)-N-(2-hydroxyethyl)-2, 3-dihydro-1H-inden-1-aminium chloride | DTXSID201026489 | 3UPR33JAAM | ZEPOSIAStarter Kit
Specifications & Purity
≥99%
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
MODULATOR
Mechanism of action
Sphingosine 1-phosphate receptor Edg-1 modulator
Purity
≥99%
Names and Identifiers
Canonical SmilesCC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)NCCO)C#N.Cl
IUPAC Name5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
InChIKeyHAOOCAKHSFYDBU-BDQAORGHSA-N
INCHI1S/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
Isomeric SMILES CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)NCCO)C#N.Cl
PubChem CID 91618104
Molecular Weight 440.92

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassOxadiazoles
Intermediate Tree Nodes 1,2,4-oxadiazoles
Direct ParentPhenyloxadiazoles
Alternative Parents Indanes  Phenoxy compounds  Phenol ethers  Benzonitriles  Aralkylamines  Alkyl aryl ethers  Heteroaromatic compounds  1,2-aminoalcohols  Oxacyclic compounds  Nitriles  Dialkylamines  Azacyclic compounds  Primary alcohols  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenyl-1,2,4-oxadiazole - Indane - Benzonitrile - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - 1,2-aminoalcohol - Oxacycle - Azacycle - Secondary amine - Alkanolamine - Secondary aliphatic amine - Ether - Nitrile - Carbonitrile - Hydrochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Amine - Hydrocarbon derivative - Primary alcohol - Cyanide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 200 mg/mL (453.60 mM; Need ultrasonic)
Molecular Weight440.900 g/mol
XLogP3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass440.162 Da
Monoisotopic Mass440.162 Da
Topological Polar Surface Area104.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity609.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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