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CAS 863127-77-9

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Dasatinib monohydrate

Description:
Dasatinib monohydrate is a small molecule tyrosine kinase inhibitor primarily used in the treatment of certain types of leukemia, particularly chronic myeloid leukemia (CML) and acute lymphoblastic leukemia (ALL). It is characterized by its ability to inhibit multiple tyrosine kinases, including BCR-ABL and SRC family kinases, which play crucial roles in cancer cell proliferation and survival. The monohydrate form indicates that each molecule of dasatinib is associated with one molecule of water, which can influence its solubility and stability. Dasatinib is typically administered orally and is known for its relatively rapid absorption and bioavailability. In terms of physical properties, dasatinib monohydrate is a white to off-white crystalline powder, and it is soluble in organic solvents like dimethyl sulfoxide (DMSO) and slightly soluble in water. Its chemical formula reflects the presence of various functional groups that contribute to its pharmacological activity. As with many pharmaceuticals, dasatinib monohydrate is subject to specific storage conditions to maintain its efficacy and shelf life.
Formula:C22H28ClN7O3S
InChI:InChI=1/C22H27N7O2S2.H2O/c1-14-4-3-5-16(32)20(14)27-21(31)17-13-23-22(33-17)26-18-12-19(25-15(2)24-18)29-8-6-28(7-9-29)10-11-30;/h3-5,12-13,30,32H,6-11H2,1-2H3,(H,27,31)(H,23,24,25,26);1H2
InChI key:InChIKey=XHXFZZNHDVTMLI-UHFFFAOYSA-N
SMILES:N(C1=CC(N2CCN(CCO)CC2)=NC(C)=N1)C=3SC(C(NC4=C(C)C=CC=C4Cl)=O)=CN3.O
Synonyms:
  • 2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(2-methyl-6-sulfanylphenyl)-1,3-thiazole-5-carboxamide hydrate (1:1)
  • 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-, hydrate (1:1)
  • 5-Thiazolecarboxamide, N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-, monohydrate
  • Bms 35482503
  • Dasatinib hydrate
  • N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide monohydrate
  • Dasatinib monohydrate
  • n-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
  • DASATINIB
  • Dasatinib(TINIBS)
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