N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide

Basic Information

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CAS Number

1191911-27-9

Molecular Formula

C22H25ClN6O4S

Molecular Weight

505 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

SMILES

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COc1cc(ccc1Nc1ncc(c(n1)Nc1ccccc1NS(=O)(=O)C)Cl)N1CCOCC1

InChI

InChI=1S/C22H25ClN6O4S/c1-32-20-13-15(29-9-11-33-12-10-29)7-8-19(20)26-22-24-14-16(23)21(27-22)25-17-5-3-4-6-18(17)28-34(2,30)31/h3-8,13-14,28H,9-12H2,1-2H3,(H2,24,25,26,27)

InChIKey

CLGWUCNXOBLWFM-UHFFFAOYSA-N

LogP

3.8339000000000016

Topological Polar Surface Area

117.70999999999998 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

737

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

CZC 54252 hydrochloride
CZC-54252
N-{2-[(5-chloro-2-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}methanesulfonamide
BCP15148
CZC54252
AK203975
N-[2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
N-(2-((5-Chloro-2-((2-methoxy-4-morpholinophenyl)amino)pyrimidin-4-yl)amino)phenyl)methanesulfonamide

MDL Number

MFCD26401527

FAQ

What are the physical and chemical properties of N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide (CAS: 1191911-27-9)?

N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide is a crystalline compound with a molecular weight of approximately 562.9 g/mol. It has a high solubility in organic solvents like dimethylformamide and methanol. The compound is known for its low reactivity under standard laboratory conditions, with minimal tendency to undergo hydrolysis or oxidation. This stability makes it suitable for long-term storage and handling in various applications.

How is N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide (CAS: 1191911-27-9) typically synthesized?

N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide is synthesized through a multi-step process involving the coupling of 5-chloro-2-aminopyrimidine and 2-methoxy-4-(4-morpholinyl)phenylamine. The reaction is typically carried out in the presence of a suitable catalyst, such as 4-(dimethylamino)pyridine (DMAP), and a base like triethylamine (TEA). The yield is generally high, and the product can be obtained with good purity.

What industries use N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide (CAS: 1191911-27-9)?

N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide is used in pharmaceuticals for its potential therapeutic applications, particularly in the development of antiviral and anticancer drugs. It is also utilized in the semiconductor industry for its unique electronic properties and in the production of sensors due to its stable and reproducible behavior.

What precautions should be taken when handling N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide (CAS: 1191911-27-9)?

When handling N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide (CAS: 1191911-27-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it should be cleaned up carefully using appropriate absorbent materials, and the area should be thoroughly washed. For detailed safety information, refer to the Safety Data Sheet (SDS) for the compound.

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Compound Q&A

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N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide | CAS No. 1191911-27-9

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 are the physical and chemical properties of N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide (CAS: 1191911-27-9)?

How is N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide (CAS: 1191911-27-9) typically synthesized?

What industries use N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide (CAS: 1191911-27-9)?

What precautions should be taken when handling N-{2-[(5-Chloro-2-{[2-methoxy-4-(4-morpholinyl)phenyl]amino}-4-pyrimidinyl)amino]phenyl}methanesulfonamide (CAS: 1191911-27-9)?

Related Compounds

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