Trametinib

C₂₆H₂₃FIN₅O₄CAS 871700-17-3615.40 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₂₆H₂₃FIN₅O₄
Molar mass: 615.40 g/mol
Exact mass: 615.0779 Da
Melting point: 300–301 °C
logP: 4.59Crippen estimate
Polar surface area: 110.6 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5

Hazards

Danger

H317 May cause an allergic skin reaction50% of notifiers
H360D May damage the unborn child50% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure50% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P270, P272, P280, P302+P352, P318, P319, P321, P333+P317, P362+P364, P405, P501

Identifiers

CAS number

871700-17-3

SMILES

CC(O)=Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1

InChIKey

LIRYPHYGHXZJBZ-UHFFFAOYSA-N

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)

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Names and synonyms

8 names

Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]-
N-[3-[3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]acetamide
JTP 74057
GSK 1120212
N-[3-[3-Cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide
G 02442104
Mekinist
GSK 212

Work with Trametinib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trametinib dimethyl sulfoxide1187431-43-192 % similar Arry-424704, arry-704869357-68-640 % similar 2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic acid391211-97-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook