5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine

Basic Information

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CAS Number

1197953-54-0

Molecular Formula

C29H39ClN7O2P

Molecular Weight

584.11 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 Insecticides

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3P(=O)(C)C)n2)N4CCC(CC4)N5CCN(C)CC5

InChI

InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)

InChIKey

AILRADAXUVEEIR-UHFFFAOYSA-N

LogP

5.090000000000005

Topological Polar Surface Area

85.85999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

835

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

Brigatinib
2-METHYL-3-FLUORO-PHENYLBORONIC ACID
Ap26113
5-Chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-2,4-pyrimidinediamine
Ap26113; brigatinib
Brigatinib [USAN]
Brigatinib (AP26113)
HYW8DB273J
Brigatinib (USAN)
2,4-Pyrimidinediamine, 5-chloro-N4-(2-(dimethylphosphinyl)phenyl)-N2-(2-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)-
5-Chloro-N~4~-[2-(Dimethylphosphoryl)phenyl]-N~2~-{2-Methoxy-4-[4-(4-Methylpiperazin-1-Yl)piperidin-1-Yl]phenyl}pyrimidine-2,4-Diamine
Brigatiib
Alunbrig (TN)
2,4-Pyrimidinediamine, 5-chloro-N4-[2-(dimethylphosphinyl)phenyl]-N2-[2-methoxy-4-[4-(4-methyl-1-pip
(2-((5-chloro-2-((2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide

MDL Number

MFCD29472221

FAQ

What regulatory guidelines apply to 5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine (CAS: 1197953-54-0)?

This compound falls under the scope of the REACH regulation in the European Union and is subject to classification and labeling requirements under GHS. In the United States, it must comply with FDA and EPA regulations for its production, distribution, and disposal. Compliance with local and national regulations is essential to ensure safe handling and transportation.

Are there alternatives to 5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine (CAS: 1197953-54-0) in synthesis?

Several alternative reagents can be used in the synthesis of this compound, including related pyrimidines with different substituents. Common analogs and isomers can serve as effective alternatives, depending on the specific requirements of the reaction and the desired properties of the final product.

What is the market or research trend for 5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine (CAS: 1197953-54-0)?

Research into this compound is focused on its potential applications in medicinal chemistry and pharmaceuticals. Market trends indicate growing interest in its use as an intermediate in the development of novel drugs. Emerging research is exploring its biological activity and potential as a therapeutic agent.

How should waste containing 5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine (CAS: 1197953-54-0) be handled?

Waste containing this compound should be managed according to local and national environmental regulations. It is recommended to collect the waste in appropriate containers and dispose of it through professional waste disposal services. Incineration or chemical treatment may be necessary to ensure the complete destruction of the compound and minimize environmental impact.

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

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Compound Q&A

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Compound Q&A

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Compound Q&A

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Compound Q&A

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5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine | CAS No. 1197953-54-0

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What regulatory guidelines apply to 5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine (CAS: 1197953-54-0)?

Are there alternatives to 5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine (CAS: 1197953-54-0) in synthesis?

What is the market or research trend for 5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine (CAS: 1197953-54-0)?

How should waste containing 5-Chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}-2,4-pyrimidinediamine (CAS: 1197953-54-0) be handled?

Related Compounds

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Supplier Information

Shanghai Qingyi Biotechnology Co., Ltd.

Shandong Sihuan Pharmaceutical Co., Ltd.

Shandong Xuanhong Biomedical Co., Ltd.

Wuhan Hanxiang Biotechnology Co., Ltd.

Yiming Biotechnology (Shanghai) Co., Ltd

NaJingChenXi Chemical Co Ltd

Taizhou Kede Chemical Industry Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

Anqing Banuo Medicine Technology Co., Ltd.

Shanghai Hongyao Medicine & Technology Co., Ltd.

Shanghai Yuansi Biotechnology Co., Ltd.

Hubei Shixing Chemical Co., Ltd.

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd.

Jinan Guo Ding Medicine Technology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

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