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TP-008

CAT: 0013-GTR19204641-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204641-01Size:25 mg
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Description
TGFβRI-IN-2 is a potent, selective, and orally bioavailable ALK5 inhibitor with pIC50 and pEC50 values of 7.6 and 6.63, respectively. This compound is a valuable research tool for investigating TGF-β signaling in fibrotic disease models, cancer biology, and other cellular processes both in vitro and in vivo.
CAS Number
1976038-41-1
Field of Research
Stem Cell & Developmental Biology
Smiles
O=C1N (C=2C (N1CC (N) =O) =CN=CC2) C=3C=C (N=CC3C) C4=C (F) C=CC (Cl) =C4
Molecular Formula
C20H15ClFN5O2
Molecular Weight
411.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[1-[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetamide
CAS Number1976038-41-1
PubChem CID145925651
IUPAC Name2-[1-[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetamide
Molecular FormulaC20H15ClFN5O2
Molecular Weight411.8
XLogP2
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity640
SMILES
CC1=CN=C(C=C1N2C3=C(C=NC=C3)N(C2=O)CC(=O)N)C4=C(C=CC(=C4)Cl)F
InChI
InChI=1S/C20H15ClFN5O2/c1-11-8-25-15(13-6-12(21)2-3-14(13)22)7-17(11)27-16-4-5-24-9-18(16)26(20(27)29)10-19(23)28/h2-9H,10H2,1H3,(H2,23,28)
InChIKey
LVEUPFUJRKZPEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[1-[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]acetamide
CAS: 1976038-41-1
CID: 145925651
Formula: C20H15ClFN5O2
MW: 411.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.8
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass411.0898306
Monoisotopic Mass411.0898306
Topological Polar Surface Area92.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity640
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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