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TGFβRI-IN-4

CAT: 0931-T62559-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62559-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2421135-03-5
Target
TGF-beta/Smad, Others
Related Pathways
Others, Stem Cells
Bioactivity
TGFβRI-IN-4 is a potent, orally active TGFβ receptor type I kinase (TGFβRI) inhibitor that targets ALK5 (IC50: 44 nM) and NIH3T3 (IC50: 42.5 nM), inhibiting tumor growth and weight in a xenograft tumor model.
Smiles
O(C=1C(=NN(C1)C2CC2)C3CC(F)(F)C3)C=4C=C(NC=5C=C(C(C)(C)O)N=CC5)N=CC4
Molecular Formula
C23H25F2N5O2
Molecular Weight
441.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tgf|ari-IN-4
CAS Number2421135-03-5
PubChem CID162618103
IUPAC Name2-[4-[[4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
Molecular FormulaC23H25F2N5O2
Molecular Weight441.5
XLogP2.9
Topological Polar Surface Area85.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity656
SMILES
CC(C)(C1=NC=CC(=C1)NC2=NC=CC(=C2)OC3=CN(N=C3C4CC(C4)(F)F)C5CC5)O
InChI
InChI=1S/C23H25F2N5O2/c1-22(2,31)19-9-15(5-7-26-19)28-20-10-17(6-8-27-20)32-18-13-30(16-3-4-16)29-21(18)14-11-23(24,25)12-14/h5-10,13-14,16,31H,3-4,11-12H2,1-2H3,(H,26,27,28)
InChIKey
MVQOWTPMVHJPMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tgf|ari-IN-4
CAS: 2421135-03-5
CID: 162618103
Formula: C23H25F2N5O2
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass441.19763138
Monoisotopic Mass441.19763138
Topological Polar Surface Area85.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity656
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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GTR19186040-01TGFβRI-IN-4
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HY-147786TGFβRI-IN-5
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