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Home Nitriles (S)-5-(3-(1-((2-Hydroxyethyl)amino)-2,3-dihydro-1h-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile

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

CAS No.:
1306760-87-1
Catalog Number:
AG000USL
Molecular Formula:
C23H24N4O3
Molecular Weight:
404.4617
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
99%
1 week
United States
$257
- +
10mg
99%
1 week
United States
$373
- +
25mg
99%
1 week
United States
$640
- +
50mg
99%
1 week
United States
$973
- +
100mg
99%
1 week
United States
$1473
- +
Product Description
Catalog Number:
AG000USL
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
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
InChI:
InChI=1S/C23H24N4O3/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/t20-/m0/s1
InChI Key:
XRVDGNKRPOAQTN-FQEVSTJZSA-N
SMILES:
OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C
UNII:
Z80293URPV
Properties
Complexity:
609  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
404.185g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
404.47g/mol
Monoisotopic Mass:
404.185g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Ozanimod (RPC1063), a selective S1PR1 and S1PR5 modulator, reduces chronic inflammation and alleviates kidney pathology in murine systemic lupus erythematosus. PloS one 20180101
Ozanimod (RPC1063) is a potent sphingosine-1-phosphate receptor-1 (S1P1 ) and receptor-5 (S1P5 ) agonist with autoimmune disease-modifying activity. British journal of pharmacology 20160601
Full pharmacological efficacy of a novel S1P1 agonist that does not require S1P-like headgroup interactions. Molecular pharmacology 20081101
Properties