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

COA

Grade & Purity:

≥99%

Cas Number: 1618636-37-5
Molecular Weight: 440.92
PubChem CID: 91618104

In stock

Item Number

O657032

Grouped product items
SKU	Size	Availability	Price
O657032-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$120.90
O657032-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$180.90
O657032-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$370.90
O657032-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$580.90
O657032-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$850.90

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Class A GPCR (4138) GPCR/G Protein (3172) LPL Receptor (113)

Basic Description

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 Temp	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
Product Description	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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Oxadiazoles
      - Level5 1,2,4-oxadiazoles
        Level6 Phenyloxadiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Oxadiazoles
Intermediate Tree Nodes	1,2,4-oxadiazoles
Direct Parent	Phenyloxadiazoles
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 Framework	Aromatic 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
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile;hydrochloride
INCHI	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
InChIKey	HAOOCAKHSFYDBU-BDQAORGHSA-N
Smiles	CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)NCCO)C#N.Cl
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 200 mg/mL (453.60 mM; Need ultrasonic)
Molecular Weight	440.900 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	440.162 Da
Monoisotopic Mass	440.162 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	609.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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