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CAS 923288-90-8

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Nilotinib hcl monohydrate

Description:
Nilotinib hydrochloride monohydrate is a small molecule tyrosine kinase inhibitor primarily used in the treatment of chronic myeloid leukemia (CML). It is characterized by its ability to selectively inhibit the BCR-ABL fusion protein, which is responsible for the proliferation of cancer cells in CML. The compound is typically presented as a white to off-white crystalline powder and is soluble in water, which facilitates its administration in a clinical setting. Its chemical formula includes a hydrochloride salt and a monohydrate form, indicating the presence of one water molecule per formula unit. Nilotinib exhibits a high affinity for the ATP-binding site of the BCR-ABL protein, which enhances its efficacy compared to other treatments. The pharmacokinetics of nilotinib show a relatively long half-life, allowing for once or twice daily dosing. Common side effects may include nausea, fatigue, and hematological abnormalities, necessitating regular monitoring of blood counts during treatment. Overall, nilotinib hydrochloride monohydrate represents a significant advancement in targeted cancer therapy.
Formula:C28H22F3N7OHClH2O
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
InChI key:YCBPQSYLYYBPDW-UHFFFAOYSA-N
SMILES: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
Synonyms:
  • Nilotinib hydrochloride monohydrate
  • Nilotinib monohydrochloride monohydrate
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