Nilotinib hydrochloride monohydrate

Basic Information

View in Editor

CAS Number

923288-90-8

Molecular Formula

C28H25ClF3N7O2

Molecular Weight

584 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=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.O.Cl

InChI

InChI=1S/C28H22F3N7O.ClH.H2O/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);1H;1H2

InChIKey

YCBPQSYLYYBPDW-UHFFFAOYSA-N

LogP

5.952940000000005

Topological Polar Surface Area

129.12 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

817

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

Nilotinib hcl monohydrate
Nilotinib monohydrochloride monohydrate
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide,hydrate,hydrochloride
Nilotinib (monohydrochloride monohydrate)
Nilotinib HCl Hydrate
Epothilone B
4-methyl-N-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide monohydrochloride monohydrate
5JHU0N1R6K
Nilotinib hydrochloride hydrate
Nilotinib hydrochloride hydrate (JAN)
Nilotinib hydrochloride monohydrate
Tasigna (TN)
UNII-5JHU0N1R6K
Nilotinib hydrochloride hydrate [JAN]
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;hydrate;hydrochloride
Nilotinib HCl H2O
Nilotinib hydrochlor
4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzamide, monohydrochloride, monohydrate
Nilotinib HCl monohydrate
AMN107 (monohydrochloride monohydrate)
D06413
CS-1212
Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-, hydrochloride, hydrate (1:1:1); Nilotinib monohydrochloride monohydrate
AKOS027420462
NILOTINIB HYDROCHLORIDE MONOHYDRATE [EP MONOGRAPH]
Tasigna
Nilotinib HCl hydrate
s4895
Nilotinib hydrochloride monohydrate [WHO-DD]
AC-28467
Nilotinib monohydrochloride monohydrate?

MDL Number

MFCD16038432

FAQ

What are the physical and chemical properties of Nilotinib hydrochloride monohydrate (CAS: 923288-90-8)?

Nilotinib hydrochloride monohydrate is a crystalline solid with a molecular weight of approximately 467.8 g/mol. It is sparingly soluble in water and ethanol. The compound shows moderate reactivity with bases and is stable under normal storage conditions. Good solubility in organic solvents like methanol and acetonitrile makes it suitable for pharmaceutical applications.

How is Nilotinib hydrochloride monohydrate (CAS: 923288-90-8) typically synthesized?

Nilotinib hydrochloride monohydrate is synthesized through a multi-step process involving condensation reactions, hydrogenation, and hydrochloric acid treatment. The key steps include the conversion of an intermediate to the target compound, followed by hydrochloridation and crystallization. The process typically yields 85-90% purity with high selectivity.

What industries use Nilotinib hydrochloride monohydrate (CAS: 923288-90-8)?

Nilotinib hydrochloride monohydrate is primarily used in the pharmaceutical industry for the treatment of chronic myeloid leukemia. It is also of interest in research for its kinase inhibitory properties, making it relevant to the development of targeted cancer therapies. Further applications are being explored in the field of drug discovery and personalized medicine.

What precautions should be taken when handling Nilotinib hydrochloride monohydrate (CAS: 923288-90-8)?

When handling Nilotinib hydrochloride monohydrate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Spills should be immediately cleaned up using appropriate absorbent materials, and the area should be thoroughly washed down. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.