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Trametinib DMSO solvate

CAT: 1410-M10640-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A potent and highly specific MEK1/2 inhibitor with IC50 of 0.92 nM/1.8 nM.
CAS Number
1187431-43-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
693.5283
Molecular Formula
C28H29FIN5O5S
Notes
Research use only, not for human use.
Receptor
MEK

Chemical Information

Trametinib Dimethyl Sulfoxide

Trametinib dimethyl sulfoxide is an addition compound obtained by combining equimolar amounts of trametinib and dimethyl sulfoxide. Used for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E or V600K mutations, and who have not received prior BRAF inhibitor treatment. It has a role as an antineoplastic agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It contains a dimethyl sulfoxide and a trametinib.

CAS Number1187431-43-1
PubChem CID50992434
IUPAC NameN-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide;methylsulfinylmethane
Molecular FormulaC28H29FIN5O5S
Molecular Weight693.5
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count41
Formal Charge0
Complexity1120
SMILES
CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5.CS(=O)C
InChI
InChI=1S/C26H23FIN5O4.C2H6OS/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34;1-4(2)3/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34);1-2H3
InChIKey
OQUFJVRYDFIQBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trametinib Dimethyl Sulfoxide
CAS: 1187431-43-1
CID: 50992434
Formula: C28H29FIN5O5S
MW: 693.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight693.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass693.09182
Monoisotopic Mass693.09182
Topological Polar Surface Area138 Ų
Heavy Atom Count41
Formal Charge0
Complexity1120
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

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