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S118

CAT: 0013-GTR19258161-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258161-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S118 is an orally active inhibitor of the sphingosine-1-phosphate receptor 2 (S1P2 receptor) . It prevents the binding of the S1P2 receptor to dapper1 (Dpr1), reduces the accumulation of β-catenin, and blocks the nuclear translocation of the S1P2 receptor. This process inhibits inflammation, fibrosis, and epithelial-mesenchymal transition (EMT), thereby exhibiting anti-idiopathic pulmonary fibrosis (IPF) activity. S118 is considered promising for research in idiopathic pulmonary fibrosis.
CAS Number
2677041-36-8
Field of Research
Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C (NNC=1N=C2C (C=NN2C) =C (C1) C=3C=CC (F) =CC3) NC=4C=C (Cl) N=C (Cl) C4
Molecular Formula
C19H14Cl2FN7O
Molecular Weight
446.265
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

JTE-013 analog 9d
CAS Number2677041-36-8
PubChem CID167312214
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-3-[[4-(4-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]amino]urea
Molecular FormulaC19H14Cl2FN7O
Molecular Weight446.3
XLogP4.6
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity587
SMILES
CN1C2=C(C=N1)C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H14Cl2FN7O/c1-29-18-14(9-23-29)13(10-2-4-11(22)5-3-10)8-17(26-18)27-28-19(30)24-12-6-15(20)25-16(21)7-12/h2-9H,1H3,(H,26,27)(H2,24,25,28,30)
InChIKey
MBIPPXGZZKZFBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of JTE-013 analog 9d
CAS: 2677041-36-8
CID: 167312214
Formula: C19H14Cl2FN7O
MW: 446.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.3
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass445.0620916
Monoisotopic Mass445.0620916
Topological Polar Surface Area96.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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