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380843-75-4

Basic Information
CAS No.: 380843-75-4
Name: Bosutinib
Article Data: 17
Cas Database
Molecular Structure:
Molecular Structure of 380843-75-4 (Bosutinib)
Formula: C26H29Cl2N5O3
Molecular Weight: 530.454
Synonyms: 4-[(2,4-dichloro-5-methoxy-phenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile;3-Quinolinecarbonitrile, 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-;Bosutinib [USAN];4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile;SKI-606;Bosutinib(TINIBS );
EINECS: 700-455-1
Density: 1.36 g/cm3
Melting Point: 116-120 °C
Boiling Point: 649.7 °C at 760 mmHg
Flash Point: 346.7 °C
Solubility: N/A
Appearance: white powder
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
Transport Information: N/A
PSA: 82.88000
LogP: 5.13918
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Specification

1. Introduction of Bosutinib
Bosutinib is one kind of white powder. The IUPAC Name of it is 4-(2,4-Dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile. It belongs to API;Aromatics Compounds. It may in EP Standard or Standard Enterprise. The Classification Code of it is Antineoplastic (Src kinase inhibitor); Antineoplastic Agents; Antineoplastic [Src kinase inhibitor].

2. Properties of Bosutinib
Physical properties about Bosutinib are:
(1)Index of Refraction: 1.651; (2)Density: 1.36 g/cm3; (3)Flash Point: 346.7 °C; (4)Melting point: 116-120 °C; (5)Enthalpy of Vaporization: 95.77 kJ/mol; (6)Boiling Point: 649.7 °C at 760 mmHg; (7)Vapour Pressure: 9.15E-17 mmHg at 25 °C.

3. Structure Descriptors of Bosutinib
(1)InChI: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
(2)InChIKey: InChIKey=UBPYILGKFZZVDX-UHFFFAOYSA-N
(3)Smiles: c1(cc2ncc(C#N)c(Nc3cc(OC)c(Cl)cc3Cl)c2cc1OC)OCCCN1CCN(CC1)C

4. Uses of Bosutinib
Bosutinib (CAS NO.380843-75-4) has been used for API. It is a tyrosine kinase inhibitor undergoing research for use in the treatment of CML. It is also used in the treatment of cancer use in the treatment of cancer. Some commercial stocks of bosutinib have recently been found to have the incorrect chemical structure, calling the biological results obtained with them into doubt.