3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylurea

Basic Information

View in Editor

CAS Number

872511-34-7

Molecular Formula

C26H31Cl2N7O3

Molecular Weight

560.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

747.9±60.0°C at 760 mmHg

Density

1.354

SMILES

View in Editor

CN(C(=O)NC1C(Cl)=C(C=C(OC)C=1Cl)OC)C1=CC(NC2C=CC(=CC=2)N2CCN(CC2)CC)=NC=N1

InChI

InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)

InChIKey

QADPYRIHXKWUSV-UHFFFAOYSA-N

LogP

5.354400000000005

Topological Polar Surface Area

95.09 Å²

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

724

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

NVP-BGJ398
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea
BGJ398(NVP-BGJ398)
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)-1-methylurea
BGJ 398
BGJ-398
C26H31Cl2N7O3
Infigratinib
UNII-A4055ME1VK
BGJ398
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-((4-(4-ethylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)-1-methylurea
A4055ME1VK
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
N′-(2,6-Dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-(4-ethyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]-N-methylurea (ACI)
3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-[6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimid-4-yl]-1-methyl-urea
3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-[6-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1-methylurea
NVP-BGJ 398

MDL Number

MFCD22123241

FAQ

What is 3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylurea (CAS: 872511-34-7)?

3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylurea (CAS: 872511-34-7) is a synthetic organic compound with a complex structure featuring a urea backbone. It contains a 2,6-dichloro-3,5-dimethoxyphenyl group and a pyrimidinyl ring substituted with an amino group linked to a 4-(4-ethyl-1-piperazinyl)phenyl moiety. The compound is typically a white solid with low solubility in water and exhibits functional groups typical of pharmaceutical intermediates.

What are the main uses of 3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylurea (CAS: 872511-34-7)?

This compound is primarily used in pharmaceutical research as a potential kinase inhibitor and drug development candidate. Its structure suggests applications in targeting molecular pathways related to cancer or inflammatory diseases. It may also serve as an intermediate in the synthesis of other bioactive compounds, though specific industrial or commercial uses are not widely documented. The compound's unique functional groups make it relevant for medicinal chemistry studies.

Is 3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylurea (CAS: 872511-34-7) safe?

Safety data for this compound is limited, but as a chemical with chloro and methoxy substituents, it may exhibit moderate toxicity. Handling should involve protective measures such as gloves, goggles, and proper ventilation. It is classified as a hazardous substance under certain regulatory frameworks, requiring adherence to OSHA and EPA guidelines. Always consult safety data sheets (SDS) for specific handling instructions and toxicity profiles.

How should 3-(2,6-Dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1-methylurea (CAS: 872511-34-7) be stored?

Store this compound in a sealed, dry container at room temperature (15-25°C) away from light and moisture. Avoid exposure to heat and humidity to maintain stability. It should be kept in a well-ventilated area, and protective measures should be taken when handling. Ensure storage conditions comply with chemical safety standards to prevent degradation or unintended reactions.