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MSC-4106

CAT: 0013-GTR19188275-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188275-01Size:10 mg
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Description
MSC-4106 is a potent, orally bioavailable small molecule inhibitor of the YAP/TAZ-TEAD interaction. It functions by blocking the auto-palmitoylation of TEAD1 and TEAD3 transcription factors, and it has shown significant anti-tumor efficacy in the NCI-H226 mesothelioma xenograft model, supporting its use in cancer research.
CAS Number
2738542-58-8
Product Name Alternative
YAP–TEAD, MSC 4106, MSC4106, MSC-4106
Field of Research
Stem Cell & Developmental Biology
Purity
99.89% (May vary between batches)
Solubility
DMSO:225 mg/mL (626.22 mM)
Smiles
Cn1cc2c3cc (ccc3n (-c3ccc (cc3) C (F) (F) F) c2n1) C (O) =O
Molecular Formula
C18H12F3N3O2
Molecular Weight
359.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CAS Number2738542-58-8
PubChem CID157037366
IUPAC Name2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
Molecular FormulaC18H12F3N3O2
Molecular Weight359.3
XLogP4.1
Topological Polar Surface Area60.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity550
SMILES
CN1C=C2C3=C(C=CC(=C3)C(=O)O)N(C2=N1)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C18H12F3N3O2/c1-23-9-14-13-8-10(17(25)26)2-7-15(13)24(16(14)22-23)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26)
InChIKey
HUSMWXZHQVTDRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CAS: 2738542-58-8
CID: 157037366
Formula: C18H12F3N3O2
MW: 359.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.3
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass359.08816112
Monoisotopic Mass359.08816112
Topological Polar Surface Area60.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity550
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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