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Trametinib

CAT: 0926-FC34128-02Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FC34128-02Size:0.5 g
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CAS Number
871700-17-3
Synonyms
N- (3- (3-Cyclopropyl-5- (2-fluoro-4-iodophenylamino) -6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1 (2H) -yl) pheny l) acetamide
MDL Number
MFCD17215075
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
Molecular Formula
C26H23O4N5FI
Molecular Weight
615.39 g/mol
Controlled
No

Chemical Information

Trametinib

Trametinib is a pyridopyrimidine that is used (as its dimethyl sulfoxide addition compound) 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 anticoronaviral agent, a geroprotector, an antineoplastic agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of acetamides, an aromatic amine, a ring assembly, an organoiodine compound, an organofluorine compound, a pyridopyrimidine and a member of cyclopropanes.

CAS Number871700-17-3
PubChem CID11707110
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
Molecular FormulaC26H23FIN5O4
Molecular Weight615.4
XLogP3.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity1090
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
InChI
InChI=1S/C26H23FIN5O4/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/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
InChIKey
LIRYPHYGHXZJBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trametinib
CAS: 871700-17-3
CID: 11707110
Formula: C26H23FIN5O4
MW: 615.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight615.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass615.07788
Monoisotopic Mass615.07788
Topological Polar Surface Area102 Ų
Heavy Atom Count37
Formal Charge0
Complexity1090
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
T2125-01Trametinib
A3018-STrametinib (GSK1120212)
CS-EK-01958Trametinib-13C6
HY-10999S-01Trametinib-d4

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