ChemicalBook--->CAS DataBase List--->1976038-41-1

1976038-41-1

1976038-41-1 Structure

1976038-41-1 Structure
IdentificationBack Directory
[Name]

TGFβRI-IN-2
[CAS]

1976038-41-1
[Synonyms]

TGFβRI-IN-2
[Molecular Formula]

C20H15ClFN5O2
[MDL Number]

MFCD34184956
[MOL File]

1976038-41-1.mol
[Molecular Weight]

411.82
Chemical PropertiesBack Directory
[Boiling point ]

664.2±65.0 °C(Predicted)
[density ]

1.450±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: 2mg/mL, clear
[form ]

Solid
[pka]

15.82±0.40(Predicted)
[color ]

White to off-white
[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
[SMILES]

Fc1c(cc(cc1)Cl)c2ncc(c(c2)[n]3c4c([n]([c]3=O)CC(=O)N)cncc4)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

TP-008 is a potent, selective and orally active (Activin-Like Kinase 5) ALK5 inhibitor with pIC50 and pEC50 values of 7.6 and 6.63, respectively. TGFβRI-IN-2 can produce observed cardiac toxicity in vivo at high dose[1].
[Biological Activity]

SGC Frankfurt Pharma donated probe. TP-008 is a cell penetrantpotent and selective ALK4/5 ((activin-like kinase 4/5) dual inhibitor th at potently inhibits SMAD2/3 phosphorylation in C2C12 cells. TP-008 exhibits significant cardiac toxicity in mice. It is compound 18 in BMCL 2016 paper.
[in vivo]

TP-008 (oral administation; 50, 150 and 500 mg/kg; 5 days) induces cardiovascular toxicity characterized by valvular interstitial cell proliferation, neutrophil presence, hemorrhage and fibrin deposition in the heart valves[1].

Animal Model:Rats[1]
Dosage:50, 150 and 500 mg/kg
Administration:Oral administation; 50, 150 and 500 mg/kg; 5 days
Result:Induced cardiovalvulopathy in both the medium and high dose animal groups.
[References]

[1] Wang H, et al. Design, synthesis and optimization of novel Alk5 (activin-like kinase 5) inhibitors.Bioorg Med Chem Lett. 2016 Sep 1;26(17):4334-9. DOI:10.1016/j.bmcl.2016.07.030
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