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Envometinib

CAT: 0013-GTR19263942-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263942-02Size:10 mg
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Description
Envometinib (Compound B) is a dual MEK inhibitor that operates through deep cyclic inhibition (DCI) . It exhibits antitumor activity across various in vivo models and is applicable in researching RAS and RAF mutated cancers, such as colorectal cancer and melanoma.
CAS Number
2952542-22-0
Field of Research
Signal Transduction
Smiles
O=C1OC=2C=C (OC (=O) N (C) C) C=CC2C (=C1CC=3C=CC=C (NS (=O) (=O) NC) C3Cl) CN (C) C
Molecular Formula
C23H27ClN4O6S
Molecular Weight
523.00
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Envometinib
CAS Number2952542-22-0
PubChem CID168982960
IUPAC Name[3-[[2-chloro-3-(methylsulfamoylamino)phenyl]methyl]-4-[(dimethylamino)methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
Molecular FormulaC23H27ClN4O6S
Molecular Weight523.0
XLogP2.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity919
SMILES
CNS(=O)(=O)NC1=CC=CC(=C1Cl)CC2=C(C3=C(C=C(C=C3)OC(=O)N(C)C)OC2=O)CN(C)C
InChI
InChI=1S/C23H27ClN4O6S/c1-25-35(31,32)26-19-8-6-7-14(21(19)24)11-17-18(13-27(2)3)16-10-9-15(33-23(30)28(4)5)12-20(16)34-22(17)29/h6-10,12,25-26H,11,13H2,1-5H3
InChIKey
UNBQMQJVNBHLAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Envometinib
CAS: 2952542-22-0
CID: 168982960
Formula: C23H27ClN4O6S
MW: 523.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.0
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass522.1339835
Monoisotopic Mass522.1339835
Topological Polar Surface Area126 Ų
Heavy Atom Count35
Formal Charge0
Complexity919
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

Alternative Products

CatalogName
HY-177081Envometinib

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