918639-08-4

918639-08-4 structure

Name: bosutinib hydrate
Chemical Name: bosutinib hydrate
CAS Number: 918639-08-4
Molecular Formula: C₂₆H₃₁Cl₂N₅O₄
Molecular Weight: 548.461
Catalog: Signaling Pathways Protein Tyrosine Kinase/RTK Bcr-Abl
Create Date: 2017-05-19 13:00:51
Modify Date: 2024-01-06 13:00:12
Bosutinib is an oral Src/Abl tyrosine kinase inhibito with IC50 of 1.2 nM and 1 nM, respectively[1].

Name	bosutinib hydrate
Synonyms	SKI-606 monohydrate Bosulif (TN) 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile,hydrate UNII-844ZJE6I55 bosutinib.H2O Bosutinib monohydrate 3-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-, hydrate (1:1) 4-((2,4-dichloro-5-methoxyphenyl)-amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)-propoxy)-3-quinoline-carbonitrile monohydrate BOSULIF 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile hydrate (1:1) Bosutinib hydrate (JAN)

Description	Bosutinib is an oral Src/Abl tyrosine kinase inhibito with IC50 of 1.2 nM and 1 nM, respectively[1].
Related Catalog	Signaling Pathways >> Protein Tyrosine Kinase/RTK >> Src Signaling Pathways >> Protein Tyrosine Kinase/RTK >> Bcr-Abl
Target	IC50: 314 nmol/L (Csk, Src family protein tyrosine kinases); IC50: 2.4 nmol/L(Abl kinase).
In Vitro	Bosutinib (hydrate) is an active inhibitor of Bcr-Abl in several chronic myelogenous leukemia cell lines, with IC50 values in the low nanomolar range[2]. Cell Proliferation Assay[2] Cell Line: The leukemic Bcr-Abl+ cell lines (KCL22, K562, KU812, and Lama84) Concentration: 0.1 μmol/L Incubation Time: 72 h Result: Inhibited several human CML derived cell lines with IC50 values ranging from 1 to 20 nmol/L.
In Vivo	Bosutinib (oral gavage; 75 mg/kg twice daily or 150 mg/kg once daily) has activity against human KU812 xenografts in nude mice. Bosutinib (150 mg/kg; once daily, 5 days weekly) has activity against syngeneic Bcr-Abl WT and mutantBa/F3 xenografts[2]. Animal Model: KU812CM L xenograft model[2] Dosage: 75 mg/kg twice daily or 150 mg/kg once daily Administration: Bosutinib (oral gavage; 75 mg/kg twice daily or 150 mg/kg once daily) Result: Had the therapeutic activity and produced a dose- and schedule-dependent weight loss. Animal Model: Syngeneic Bcr-Abl WT and mutant Ba/F3 xenografts[2] Dosage: 150 mg/kg Administration: Bosutinib (150 mg/kg; once daily, 5 days weekly) Result: Decreased the rate of tumor growth and prolonged event-free survival of mice.
References	[1]. Jorge E Cortes, et al. Bosutinib versus imatinib in newly diagnosed chronic-phase chronic myeloid leukemia: results from the BELA trial. J Clin Oncol. 2012 Oct 1;30(28):3486-92. [2]. Miriam Puttini, et al. In vitro and in vivo activity of SKI-606, a novel Src-Abl inhibitor, against imatinib-resistant Bcr-Abl+ neoplastic cells. Cancer Res. 2006 Dec 1;66(23):11314-22.

Molecular Formula	C₂₆H₃₁Cl₂N₅O₄
Molecular Weight	548.461
Exact Mass	547.175293
PSA	95.34000
LogP	4.42378

380843-75-4

918639-08-4

Literature: WYETH Patent: WO2007/5462 A1, 2007 ; Location in patent: Page/Page column 15-16 ;

918639-09-5

918639-08-4

Literature: WYETH Patent: WO2007/5462 A1, 2007 ; Location in patent: Page/Page column 19-20 ;

918639-10-8

918639-08-4

Literature: WYETH Patent: WO2007/5462 A1, 2007 ; Location in patent: Page/Page column 20 ;

918639-08-4	918639-10-8
1460227-29-5	918639-09-5
380843-75-4	179938-55-7
63540-28-3	26897-07-4
79785-97-0	16845-29-7