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Tepotinib (hydrochloride)

CAT: 0804-HY-14721ASize: 1 EachDry Ice: NoHazardous: No
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Description
Tepotinib (EMD-1214063) hydrochloride is an orally active and highly selective, reversible, ATP-competitive c-Met inhibitor with an IC50 of 3 nM, >200-fold selective for c-Met than IRAK4, TrkA, Axl, IRAK1, and Mer. Tepotinib hydrochloride inhibits c-Met phosphorylation and induces autophagy. Tepotinib hydrochloride has antitumor effects[1][2][3].
CAS Number
1103508-80-0
Product Name Alternative
EMD-1214063 (hydrochloride)
UNSPSC
12352005
Target
Autophagy; c-Met/HGFR
Type
Reference compound
Related Pathways
Autophagy; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tepotinib-hydrochloride.html
Solubility
10 mM in DMSO
Smiles
N#CC1=CC=CC(C(C=CC2=O)=NN2CC3=CC=CC(C4=NC=C(C=N4)OCC5CCN(CC5)C)=C3)=C1.[H]Cl.[x]
Molecular Formula
C29H28N6O2.xHCl
Molecular Weight
492.57 (free base)
References & Citations
[1]Bladt F, et al. EMD 1214063 and EMD 1204831 constitute a new class of potent and highly selective c-Met inhibitors. Clin Cancer Res, 2013, 19 (11), 2941-2951.|[2]A. Naing, et al. IS4-1 - A Phase I Dose-Escalation Study of emd 1214063, an Oral Selective CMET Inhibitor, in Patients with Advanced Solid Tumors. Annals of Oncology. Volume 23, Supplement 11, October 2012, Page xi21.|[3]Zhan N, et al. The Effect of Selective c-MET Inhibitor on Hepatocellular Carcinoma in the MET-Active, β-Catenin-Mutated Mouse Model. Gene Expr. 2018 May 18;18 (2) :135-147.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

tepotinib hydrochloride anhydrous
CAS Number1103508-80-0
PubChem CID25171647
IUPAC Name3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile;hydrochloride
Molecular FormulaC29H29ClN6O2
Molecular Weight529.0
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity880
SMILES
CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N.Cl
InChI
InChI=1S/C29H28N6O2.ClH/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30;/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3;1H
InChIKey
YHHHGHDGBUUWIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tepotinib hydrochloride anhydrous
CAS: 1103508-80-0
CID: 25171647
Formula: C29H29ClN6O2
MW: 529.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight529.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass528.2040519
Monoisotopic Mass528.2040519
Topological Polar Surface Area94.7 Ų
Heavy Atom Count38
Formal Charge0
Complexity880
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes