Home Other Building Blocks GLPG1690

GLPG1690

CAS No.:
1628260-79-6
Catalog Number:
AG001TG5
Molecular Formula:
C30H33FN8O2S
Molecular Weight:
588.6988
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$161
- +
10mg
99%
1 week
United States
$207
- +
25mg
99%
1 week
United States
$373
- +
50mg
99%
1 week
United States
$540
- +
100mg
99%
1 week
United States
$873
- +
Product Description
Catalog Number:
AG001TG5
Chemical Name:
GLPG1690
CAS Number:
1628260-79-6
Molecular Formula:
C30H33FN8O2S
Molecular Weight:
588.6988
MDL Number:
MFCD31544330
IUPAC Name:
2-[[2-ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
InChI:
InChI=1S/C30H33FN8O2S/c1-4-24-29(35(3)30-34-27(25(14-32)42-30)20-5-7-21(31)8-6-20)39-15-22(13-19(2)28(39)33-24)37-11-9-36(10-12-37)18-26(41)38-16-23(40)17-38/h5-8,13,15,23,40H,4,9-12,16-18H2,1-3H3
InChI Key:
REQQVBGILUTQNN-UHFFFAOYSA-N
SMILES:
CCc1nc2n(c1CNc1sc(c(n1)c1ccc(cc1)F)C#N)cc(cc2C)N1CCN(CC1)CC(=O)N1CC(C1)O
UNII:
I02418V13W
Properties
Complexity:
995  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.243g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
588.706g/mol
Monoisotopic Mass:
588.243g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis. Journal of medicinal chemistry 20170511
Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis. The Journal of pharmacology and experimental therapeutics 20170101
The autotaxin-lysophosphatidic acid pathway in pathogenesis of rheumatoid arthritis. European journal of pharmacology 20151015
Autotaxin production of lysophosphatidic acid mediates allergic asthmatic inflammation. American journal of respiratory and critical care medicine 20131015
Lysophosphatidic acid (LPA) and its receptors: role in airway inflammation and remodeling. Biochimica et biophysica acta 20130101
Problems of the pathogenesis, clinics, and therapy of panarteritis of the aorta and its branches. Cor et vasa 19750101
Properties