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Home Amines 1094042-01-9
1094042-01-9,MFCD12912402
Catalog No.:AA008SQI

1094042-01-9 | 2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethanol hydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
97+%
in stock  
$16.00   $11.00
- +
500mg
98% by HPLC
in stock  
$6,035.00   $4,224.00
- +
1000mg
98% by HPLC
in stock  
$9,618.00   $6,733.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008SQI
Chemical Name:
2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethanol hydrochloride
CAS Number:
1094042-01-9
Molecular Formula:
C23H27N3O4
Molecular Weight:
409.4782
MDL Number:
MFCD12912402
SMILES:
OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC
Properties
Computed Properties
 
Complexity:
525  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:SCRIPPSRESEARCH;THESCRIPPSRESINSTITTUTE-WO2009/151529,2009,A1Locationinpatent:Page/Pagecolumn150

[1]Patent:WO2009/151529,2009,A1

[1]CurrentPatentAssignee:SCRIPPSRESEARCH;THESCRIPPSRESINSTITTUTE-WO2009/151529,2009,A1

[1]CurrentPatentAssignee:SCRIPPSRESEARCH;THESCRIPPSRESINSTITTUTE-WO2009/151529,2009,A1

Literature

Title: The dual S1PR1/S1PR5 drug BAF312 (Siponimod) attenuates demyelination in organotypic slice cultures.

Journal: Journal of neuroinflammation 20160101

Title: Sphingosine 1-phosphate enhances the excitability of rat sensory neurons through activation of sphingosine 1-phosphate receptors 1 and/or 3.

Journal: Journal of neuroinflammation 20150101

Title: Effect of sphingosine 1-phosphate (S1P) receptor agonists FTY720 and CYM5442 on atherosclerosis development in LDL receptor deficient (LDL-R⁻/⁻) mice.

Journal: Vascular pharmacology 20120819

Title: Structure of the first sphingosine 1-phosphate receptor.

Journal: Science signaling 20120522

Title: S1P(1) receptor modulation with cyclical recovery from lymphopenia ameliorates mouse model of multiple sclerosis.

Journal: Molecular pharmacology 20120201

Title: The sphingosine kinase 1 and S1P1 axis specifically counteracts LPS-induced IL-12p70 production in immune cells of the spleen.

Journal: Molecular immunology 20110501

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

Journal: Molecular pharmacology 20081101

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SDS
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Tags:1094042-01-9 Molecular Formula|1094042-01-9 MDL|1094042-01-9 SMILES|1094042-01-9 2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethanol hydrochloride