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TGFβRI-IN-5

CAT: 0804-HY-147786Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-147786Size:1 Each
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Description
TGFβRI-IN-5 (Compound 4b) is a potent inhibitor of TGFβRI with an IC50 of 0.08 μM. TGFβRI-IN-5 displays amazing anticancer activity 5–7 times that of reference agent against all the tested cell lines. TGFβRI-IN-5 enhances apoptosis and arrested G2/M phase of cell cycle[1].
CAS Number
2541690-15-5
UNSPSC
12352005
Target
TGF-β Receptor
Type
Reference compound
Related Pathways
TGF-beta/Smad
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tgfβri-in-5.html
Solubility
10 mM in DMSO
Smiles
CC(N(C1=CC=CC=C1C(O)=O)C(C2=CC=C(C=C2)[N+]([O-])=O)=O)=O
Molecular Formula
C16H12N2O6
Molecular Weight
328.28
References & Citations
[1]Ismail, M. M. F., et al., (2020) . Design and synthesis of novel tranilast analogs: Docking, antiproliferative evaluation and in-silico screening of TGFβR1 inhibitors. Bioorganic chemistry, 105, 104368.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tgf|ari-IN-5
CAS Number2541690-15-5
PubChem CID138060613
IUPAC Name2-[acetyl-(4-nitrobenzoyl)amino]benzoic acid
Molecular FormulaC16H12N2O6
Molecular Weight328.28
XLogP2.1
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity521
SMILES
CC(=O)N(C1=CC=CC=C1C(=O)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H12N2O6/c1-10(19)17(14-5-3-2-4-13(14)16(21)22)15(20)11-6-8-12(9-7-11)18(23)24/h2-9H,1H3,(H,21,22)
InChIKey
FJNGYVMTOCTQFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tgf|ari-IN-5
CAS: 2541690-15-5
CID: 138060613
Formula: C16H12N2O6
MW: 328.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.28
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass328.06953611
Monoisotopic Mass328.06953611
Topological Polar Surface Area121 Ų
Heavy Atom Count24
Formal Charge0
Complexity521
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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