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Home Aminos 2-({4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl}amino)ethanol hydrochloride

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

CAS No.:
1094042-01-9
Catalog Number:
AG008STA
Molecular Formula:
C23H27N3O4
Molecular Weight:
409.4782
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$111
- +
5mg
≥95%
1 week
United States
$219
- +
10mg
≥95%
1 week
United States
$316
- +
25mg
≥95%
1 week
United States
$639
- +
Product Description
Catalog Number:
AG008STA
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
IUPAC Name:
2-[[4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]ethanol
InChI:
InChI=1S/C23H27N3O4/c1-3-28-20-11-8-15(14-21(20)29-4-2)23-25-22(26-30-23)18-7-5-6-17-16(18)9-10-19(17)24-12-13-27/h5-8,11,14,19,24,27H,3-4,9-10,12-13H2,1-2H3
InChI Key:
NUIKTBLZSPQGCP-UHFFFAOYSA-N
SMILES:
OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC
Properties
Complexity:
525  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.2g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
409.486g/mol
Monoisotopic Mass:
409.2g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
The dual S1PR1/S1PR5 drug BAF312 (Siponimod) attenuates demyelination in organotypic slice cultures. Journal of neuroinflammation 20160101
Sphingosine 1-phosphate enhances the excitability of rat sensory neurons through activation of sphingosine 1-phosphate receptors 1 and/or 3. Journal of neuroinflammation 20150101
Effect of sphingosine 1-phosphate (S1P) receptor agonists FTY720 and CYM5442 on atherosclerosis development in LDL receptor deficient (LDL-R⁻/⁻) mice. Vascular pharmacology 20120819
Structure of the first sphingosine 1-phosphate receptor. Science signaling 20120522
S1P(1) receptor modulation with cyclical recovery from lymphopenia ameliorates mouse model of multiple sclerosis. Molecular pharmacology 20120201
The sphingosine kinase 1 and S1P1 axis specifically counteracts LPS-induced IL-12p70 production in immune cells of the spleen. Molecular immunology 20110501
Full pharmacological efficacy of a novel S1P1 agonist that does not require S1P-like headgroup interactions. Molecular pharmacology 20081101
Properties