Name: Name:(S)-5-(3-(1-((2-Hydroxyethyl)amino)-2,3-dihydro-1h-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile
Brand: AABLOCKS
SKU: AA000UPT
Rating: 90 (10 reviews)

Catalog No.: AA000UPT

1306760-87-1 | (S)-5-(3-(1-((2-Hydroxyethyl)amino)-2,3-dihydro-1h-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile

Pack Size： 2mg

Purity： 98%

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Pack Size： 100mg

Purity： 98%

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$188.00 $132.00

Pack Size： 250mg

Purity： 95%

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$443.00 $310.00

Pack Size： 1g

Purity： 98%

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$809.00 $567.00

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Technical Information

Catalog Number: AA000UPT

Chemical Name: (S)-5-(3-(1-((2-Hydroxyethyl)amino)-2,3-dihydro-1h-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile

CAS Number: 1306760-87-1

Molecular Formula: C23H24N4O3

Molecular Weight: 404.4617

MDL Number: MFCD28386168

SMILES: OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C

Properties

Complexity: 609

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 30

Hydrogen Bond Acceptor Count: 7

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 7

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.1

Downstream Synthesis Route

60899-34-5

5-3-(1S)-1-(2-hydroxyethyl)amino-2,3-dihydro-1H-inden-4-yl-1,2,4-oxadiazol-5-yl-2-(propan-2-yloxy)benzonitrile

[1]Patent:WO2016/164180,2016,A1

[2]Patent:WO2019/58290,2019,A1

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1306760-87-1

[1]CurrentPatentAssignee:TEVAPHARMACEUTICALINDUSTRIESLTD.-WO2016/164180,2016,A1

[2]CurrentPatentAssignee:SERVIERMONDE-WO2018/215807,2018,A1

[3]CurrentPatentAssignee:SERVIERMONDE-WO2018/215807,2018,A1

[4]CurrentPatentAssignee:SERVIERMONDE-WO2018/215807,2018,A1

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[1]CurrentPatentAssignee:TEVAPHARMACEUTICALINDUSTRIESLTD.-WO2016/164180,2016,A1Locationinpatent:Paragraph00163

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[1]CurrentPatentAssignee:SUVENLIFESCIENCESLIMITED-WO2019/58290,2019,A1Locationinpatent:Page/Pagecolumn24

[2]CurrentPatentAssignee:SERVIERMONDE-WO2018/215807,2018,A1Locationinpatent:Page/Pagecolumn31;32

[3]CurrentPatentAssignee:TEVAPHARMACEUTICALINDUSTRIESLTD.-WO2019/94409,2019,A1Locationinpatent:Paragraph00115

[4]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2019/337908,2019,A1Locationinpatent:Paragraph0178;0180

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[1]CurrentPatentAssignee:BRIDGEPOINTGROUPPLC-WO2020/53334,2020,A1Locationinpatent:Page/Pagecolumn18-20

Literature fold

Title: Ozanimod (RPC1063), a selective S1PR1 and S1PR5 modulator, reduces chronic inflammation and alleviates kidney pathology in murine systemic lupus erythematosus.

Journal: PloS one20180101

Title: Ozanimod (RPC1063) is a potent sphingosine-1-phosphate receptor-1 (S1P1 ) and receptor-5 (S1P5 ) agonist with autoimmune disease-modifying activity.

Journal: British journal of pharmacology20160601

Title: Full pharmacological efficacy of a novel S1P1 agonist that does not require S1P-like headgroup interactions.

Journal: Molecular pharmacology20081101

Title: Julie V Selkirk, et al. Deconstructing the Pharmacological Contribution of Sphingosine-1 Phosphate Receptors to Mouse Models of Multiple Sclerosis Using the Species Selectivity of Ozanimod, a Dual Modulator of Human Sphingosine 1-Phosphate Receptor Subtypes 1 and 5. J Pharmacol Exp Ther. 2021 Dec;379(3):386-399.