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 Fórmula: C23H25ClN4O3 Peso molecular: 440.92 PubChem CID: 91618104
Disponível para encomenda
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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Size
Alemanha (EU)
USA*
Price
Qty
5mg
O657032-5mg
Sob encomenda · 8–12 semanas
250,69€
10mg
O657032-10mg
Sob encomenda · 8–12 semanas
377,38€
25mg
O657032-25mg
Sob encomenda · 8–12 semanas
773,07€
50mg
O657032-50mg
Sob encomenda · 8–12 semanas
1210,41€
100mg
O657032-100mg
Sob encomenda · 8–12 semanas
1772,70€
Enter a quantity for the sizes you want to add.
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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.

📚

Literature proof

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

Visão geral

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

Sinónimos
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
Especificações e pureza
≥99%
Condições de armazenamento de armazenamento
Store at 2-8°C,Desiccated
Enviado em
Wet ice
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Tipo de ação
MODULATOR
Mecanismo de ação
Sphingosine 1-phosphate receptor Edg-1 modulator
Pureza
≥99%
Nomes e identificadores
Sorrisos canónicos
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@@H](C4=CC=C3)NCCO)C#N.Cl
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
InChIKey
HAOOCAKHSFYDBU-BDQAORGHSA-N
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 isoméricas
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
Peso molecular
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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseAzoles
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
DescriçãoThis 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
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
SolubilidadeDMSO : 200 mg/mL (453.60 mM; Need ultrasonic)
Peso molecular440.900 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
Calculadoras de soluções
Revisões

Avaliações dos Clientes

Perguntas frequentes

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.
How is this product shipped?
This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1618636-37-5, the molecular formula is C23H25ClN4O3, and the molecular weight is 440.92 g/mol. InChIKey HAOOCAKHSFYDBU-BDQAORGHSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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