4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide

Basic Information

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CAS Number

641571-10-0

Molecular Formula

C28H22F3N7O

Molecular Weight

529.53 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

Melting Point

230-242°C

Density

1.36

Refractive Index

1.65

SMILES

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CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)

InChIKey

HHZIURLSWUIHRB-UHFFFAOYSA-N

LogP

6.355840000000003

Topological Polar Surface Area

97.62000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

817

Safety Information

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Hazard Statement

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

Nilotinib free base
EX-A8380
AC-647
4-Methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-N-[5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-
Benzamide, 4-methyl-N-((3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-
CHEBI:52172
AMN 107 Base Form
HMS3654M07
Nilotinib- Bio-X
NSC-747599
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino] benzamide
Z1741976994
AS-16214
NSC 747599
BDBM50237710
NILOTINIB [INN]
HMS3244B13
HMS3295A23
DTXSID5042663
SB17315
4-Methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide
AMN-107
4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-{(4-(pyridin-3-yl)pyrimidin-2-yl)amino}benzamide
GTPL5697
NILOTINIB [EMA EPAR]
4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO)BENZAMIDE
AKOS005063561
AMN107
AB01273978_03
N-(3-(3-(1H-Imidazolyl)propoxy)phenyl)-4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzamide

MDL Number

MFCD09833716

FAQ

What is 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide (CAS: 641571-10-0)?

4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide (CAS: 641571-10-0) is a complex organic compound with a molecular formula of C28H24F3N5O2. It contains multiple heterocyclic rings, including a pyrimidine and imidazole, making it a potential candidate for pharmaceutical development. The compound is known for its structural complexity and is often used in research for its biological activity and chemical versatility.

What are the main uses of 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide (CAS: 641571-10-0)?

This compound is primarily used in pharmaceutical research as a potential inhibitor of specific enzymes. Its molecular structure, featuring a benzamide backbone and multiple aromatic rings, makes it suitable for drug development targeting metabolic disorders and cancer. It may also find applications in chemical synthesis and as a lead compound for further modification.

Is 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide (CAS: 641571-10-0) safe?

While specific toxicity data for this compound may not be widely published, it is generally considered to have moderate toxicity based on its chemical structure. Handling should be done with appropriate protective measures, such as gloves and goggles, and in a well-ventilated area. Safety standards suggest it should be treated as a potential hazardous substance during experimental use.

How should 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide (CAS: 641571-10-0) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is sensitive to moisture and light, so it must be kept in a sealed container with desiccant. Storage in a well-ventilated area is recommended to prevent exposure to air, and it should be protected from any potential sources of contamination or degradation.

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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

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

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Compound Q&A

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4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide | CAS No. 641571-10-0

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Density

Refractive Index

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 is 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide (CAS: 641571-10-0)?

What are the main uses of 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide (CAS: 641571-10-0)?

Is 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide (CAS: 641571-10-0) safe?

How should 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzamide (CAS: 641571-10-0) be stored?

Related Compounds

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What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Supplier Information

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