N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide - (methylsulfinyl)methane (1:1)

Basic Information

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CAS Number

1187431-43-1

Molecular Formula

C28H29FIN5O5S

Molecular Weight

693.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C.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

LogP

3.934820000000002

Topological Polar Surface Area

124.19999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

1120

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

GSK1120212 (DMSO solvate)
Trametinib DMSO solvate
GSK112212 (DMSO solvate)
N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide,methylsulfinylmethane
GSK1120212
GSK-1120212
GSK-1120212 DMSO solvate
JTP 74057
JTP-74057
Trametinib
Trametinib dimethyl sulfoxide
Trametinib (DMSO solvate)
Trametinib DMSO
GSK1120212B
BSB9VJ5TUT
Mekinst
Mekinist (TN)
Trametinib dimethyl sulfoxide [USAN]
OQUFJVRYDFIQBW-UHFFFAOYSA-N
C26H23FIN5O4.C2H6OS
AOB87798
BCP06093
4126AH
GSK 1120212B
Trametinib dimethyl sulfoxide (JAN/USAN)
AK340973
D10176
N-
N-(3-(3-cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl)phenyl)acetamide
(methylsulfinyl)methane (1:1)

MDL Number

MFCD21609250

FAQ

What is N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide - (methylsulfinyl)methane (1:1) (CAS: 1187431-43-1)?

N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide - (methylsulfinyl)methane (1:1) is a complex organic compound with a unique structure. It is characterized by its molecular complexity and includes a pyrido[4,3-d]pyrimidine ring system with various substituents such as cyclopropyl, fluoro, and iodine. This compound is not commonly used in everyday applications but is of interest in pharmaceutical research for its potential therapeutic properties.

What are the main uses of N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide - (methylsulfinyl)methane (1:1) (CAS: 1187431-43-1)?

N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide - (methylsulfinyl)methane (1:1) is primarily used in pharmaceutical research and development due to its potential as a lead compound for various therapeutic applications. It is not typically used in industrial or commercial settings.

Is N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide - (methylsulfinyl)methane (1:1) (CAS: 1187431-43-1) safe?

N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide - (methylsulfinyl)methane (1:1) is generally considered safe under laboratory conditions when handled with appropriate precautions. However, it is important to follow safety guidelines and wear appropriate personal protective equipment. Proper storage and disposal should be observed to minimize environmental impact.

How should N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide - (methylsulfinyl)methane (1:1) (CAS: 1187431-43-1) be stored?

N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide - (methylsulfinyl)methane (1:1) should be stored in a cool, dry environment away from direct sunlight and heat sources. It is best kept in a tightly sealed container to maintain its stability. Proper storage is crucial to ensure the compound remains effective for research purposes and to prevent degradation or contamination.