4-{2-[(2-Chloro-4-Fluorophenyl)amino]-5-Methylpyrimidin-4-Yl}-N-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-1h-Pyrrole-2-Carboxamide

Basic Information

View in Editor

CAS Number

896720-20-0

Molecular Formula

C24H20Cl2FN5O2

Molecular Weight

500.36 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

View in Editor

CC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl)NC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1

InChIKey

WUTVMXLIGHTZJC-OAQYLSRUSA-N

LogP

5.4330200000000035

Topological Polar Surface Area

102.93 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

679

Safety Information

View Safety Information

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

1H-Pyrrole-2-carboxamide, 4-[2-[(2-chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]
VX-11e
1H-PYRROLE-2-CARBOXAMIDE, 4-[2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5-METHYL-4-PYRIMIDINYL]-N-[(1S)-1-(3-CHLOROPHENYL)-2-HY...
4-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
4-[2-[(2-chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]-1H-Pyrrole-2-carboxamide
TCS ERK 11e
TCS ERK 11e (VX-11e)
VX 11e
CS-0995
pyrimidylpyrrole,11e
4-{2-[(2-Chloro-4-Fluorophenyl)amino]-5-Methylpyrimidin-4-Yl}-N-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-1h-Pyrrole-2-Carboxamide
NCGC00242487
4-[2-[(2-Chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyr
4-[2-[(2-Chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide (ACI)
1H-Pyrrole-2-carboxaMide 4-[2-[(2-chloro-4-fluorophenyl)aMino]-5-Methyl-4-pyriMidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-
ERK 11e
VTX 11e
VX-11e(TCS ERK 11e)
11e [PMID: 19827834]
AKOS024458172
VTX-11e
BDBM35657
Vertex 11e
CHEBI:95049
s7709
1H-Pyrrole-2-carboxamide, 4-[2-[(2-chloro-4-fluorophenyl)amino]-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-
ERK11e
(S)-4-(2-((2-Chloro-4-fluorophenyl)amino)-5-methylpyrimidin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CHEMBL583042
DTXSID00469774

MDL Number

MFCD18433366

FAQ

What is 4-{2-[(2-Chloro-4-Fluorophenyl)amino]-5-Methylpyrimidin-4-Yl}-N-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide (CAS: 896720-20-0)?

This compound is a complex organic molecule with the CAS number 896720-20-0. It is characterized by its unique structure combining aromatic and heterocyclic rings. The molecule includes a pyrimidine ring, a pyrrole ring, and substituents such as chloro, fluoro, and methyl groups. It is typically used in pharmaceutical research and development.

What are the main uses of 4-{2-[(2-Chloro-4-Fluorophenyl)amino]-5-Methylpyrimidin-4-Yl}-N-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide (CAS: 896720-20-0)?

This compound is primarily used in the pharmaceutical industry for developing new drugs. It has potential applications in cancer research and as a component in anticancer therapy due to its specific biological properties.

Is 4-{2-[(2-Chloro-4-Fluorophenyl)amino]-5-Methylpyrimidin-4-Yl}-N-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide (CAS: 896720-20-0) safe?

This compound is generally safe when handled properly. However, it should be used with caution and appropriate safety measures, such as proper ventilation and protective gloves and goggles, due to its chemical nature and potential irritant properties.

How should 4-{2-[(2-Chloro-4-Fluorophenyl)amino]-5-Methylpyrimidin-4-Yl}-N-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-1H-Pyrrole-2-Carboxamide (CAS: 896720-20-0) be stored?

This compound should be stored in a tightly sealed container at room temperature (25°C) and away from direct sunlight and moisture. It should be kept in a cool, dry place and away from incompatible materials such as strong acids or bases.