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Galunisertib (LY2157299)

CAT: 1568-C08376-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C08376-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
700874-72-2
Target
TGF-beta/Smad
Applications
TGF-beta/Smad
Smiles
CC1=NC (=CC=C1) C2=NN3CCCC3=C2C4=C5C=C (C=CC5=NC=C4) C (=O) N
Molecular Formula
C22H19N5O
Additionnal Information
Galunisertib (LY2157299) is a potent TGFβ receptor I (TβRI) inhibitor with IC50 of 56 nM in a cell-free assay. Phase 2/3.
Storage Conditions
2 years -80 in solvent

Chemical Information

Galunisertib

LY-2157299 is a pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. It has a role as an antineoplastic agent and a TGFbeta receptor antagonist. It is a member of methylpyridines, a member of quinolines, a monocarboxylic acid amide, a pyrrolopyrazole and an aromatic amide.

CAS Number700874-72-2
PubChem CID10090485
IUPAC Name4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
Molecular FormulaC22H19N5O
Molecular Weight369.4
XLogP2.4
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity585
SMILES
CC1=NC(=CC=C1)C2=NN3CCCC3=C2C4=C5C=C(C=CC5=NC=C4)C(=O)N
InChI
InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
InChIKey
IVRXNBXKWIJUQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Galunisertib
CAS: 700874-72-2
CID: 10090485
Formula: C22H19N5O
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass369.15896025
Monoisotopic Mass369.15896025
Topological Polar Surface Area86.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity585
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

Alternative Products

CatalogName
S2230-5mgGalunisertib (LY2157299)
A11017-50Galunisertib (LY2157299) 50mg
A11017-500Galunisertib (LY2157299) 500mg
A11017-200Galunisertib (LY2157299) 200mg
A11017-1000Galunisertib (LY2157299) 1g
A11017-100Galunisertib (LY2157299) 100mg
A11017-25Galunisertib (LY2157299) 25mg
A11017-10Galunisertib (LY2157299) 10mg
A11017-5Galunisertib (LY2157299) 5mg
A11017-10mM-DGalunisertib (LY2157299) 10mM * 1mL in DMSO

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