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341031-54-7

Basic Information
CAS No.: 341031-54-7
Name: Sunitinib malate
Molecular Structure:
Molecular Structure of 341031-54-7 (Sunitinib malate)
Formula: C22H27FN4O2.C4H6O5
Molecular Weight: 532.56
Synonyms: N-(2-diethylaminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-hydroxybutanedioic acid;Butanedioic acid, hydroxy-, (2S)-, compd. with N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (1:1);PHA-290940AD;1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-, (2S)-hydroxybutanedioate (1:1);Sunitinib malate [USAN];SU011248 L-malate salt;SU010398;SU 011248;Sunitinib malate(TINIBS);
EINECS: 638-825-9
Density: 1.3600g/mLat 25°C(lit.)
Melting Point: 189-191°C
Boiling Point: 572.1 °C at 760 mmHg
Flash Point: 299.8 °C
Solubility:
Appearance:
Hazard Symbols: T
Risk Codes: 61-2-48/25-36/37-22-53
Safety: 53-22-36/37-24/25
Transport Information:
PSA: 172.06000
LogP: 2.77040
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    Product Name Sunitinib malate Synonyms Sunitinib malate;4-dimethyl-1H-pyrrole-3-carboxamide (2S)-hydroxybu CAS: 341031-54-7 MF: C22H27FN4O2.C4H6O5 M

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Analytical Methods

Sunitinib inhibits cellular signaling by targeting multiple receptor tyrosine kinases.These include all receptors for platelet-derived growth factor  and vascular endothelial growth factor receptors ,which play a role in both tumor angiogenesis and tumor cell proliferation. The simultaneous inhibition of these targets therefore leads to both reduced tumor vascularization and cancer cell death, and ultimately tumor shrinkage.

Specification

1. Introduction of Sunitinib malate

Sunitinib malate, with the IUPAC Name of N-(2-diethylaminoethyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene) methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide; (2S)-2-hydroxybutanedioic acid, is one kind of yellow solid.

2. Properties of Sunitinib malate

Sunitinib malate has the following properties: (1)Flash Point: 299.8 °C; (2)Enthalpy of Vaporization: 85.77 kJ/mol; (3)Boiling Point: 572.1 °C at 760 mmHg; (4)Vapour Pressure: 4.24E-13 mmHg at 25°C.

3. Structure Descriptors of Sunitinib malate

You could convert the following datas into the molecular structure:
(1).InChI:InChI=1S/C22H27FN4O2.C4H6O5/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;5-2(4(8)9)1-3(6)7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2,5H,1H2,(H,6,7)(H,8,9)/b17-12-;/t;2-/m.0/s1 
(2).InChIKey:InChIKey=LBWFXVZLPYTWQI-IPOVEDGCSA-N 
(3).Smiles:c1c(F)cc2\C(C(Nc2c1)=O)=C\c1[nH]c(c(C(NCCN(CC)CC)=O)c1C)C.C([C@@H](C(=O)O)O)C(O)=O

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