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LY2109761

CAT: 0957-S2704-02Size: 10 mm/ 1 mLDry Ice: YesHazardous: No
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CAT#:0957-S2704-02Size:10 mm/ 1 mL
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Description
LY2109761 is a novel selective TGF-β receptor type I/II (TβRI/II) dual inhibitor with Ki of 38 nM and 300 nM in a cell-free assay, respectively; shown to negatively affect the phosphorylation of Smad2. LY2109761 blocks autophagy and induces apoptosis.
CAS Number
700874-71-1
Target
TGF-beta/Smad
Activity
TGF-beta/Smad
Molecular Formula
C26H27N5O2
Storage Conditions
2 years -80 in solvent

Chemical Information

LY2109761

a transforming growth factor beta receptor type I and type II dual inhibitor, as a therapeutic approach to suppressing pancreatic cancer metastasis

CAS Number700874-71-1
PubChem CID11655119
IUPAC Name4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine
Molecular FormulaC26H27N5O2
Molecular Weight441.5
XLogP2.8
Topological Polar Surface Area65.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity632
SMILES
C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6
InChI
InChI=1S/C26H27N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18H,3,5,11-17H2
InChIKey
IHLVSLOZUHKNMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY2109761
CAS: 700874-71-1
CID: 11655119
Formula: C26H27N5O2
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass441.21647512
Monoisotopic Mass441.21647512
Topological Polar Surface Area65.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity632
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