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288383-20-0

Basic Information
CAS No.: 288383-20-0
Name: Cediranib
Article Data: 9
Molecular Structure:
Molecular Structure of 288383-20-0 (Cediranib)
Formula: C25H27FN4O3
Molecular Weight: 450.513
Synonyms: 4-(4-Fluoro-2-methylindol-5-yloxy)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline;4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline;AZD 2171;ZD 2171;Quinazoline,4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-;
EINECS: 670-946-2
Density: 1.286 g/cm3
Boiling Point: 626.557 °C at 760 mmHg
Flash Point: 332.73 °C
PSA: 72.50000
LogP: 5.16210
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    Name: cediranib CAS NO. 288383-20-0 Chinese alias 4-(4-fluoro-2-methylindole-5-oxy) -6-methoxy-7-[3-(pyrrolidine-1-yl) propoxy] quinazoline English name Cediranib Molecular formula C25H27FN4O3 Molecular weight 450.51 Density: 1.28

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Specification

1. Introduction of Cediranib
Cediranib is one kind of powder. The IUPAC name about this chemical is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline. It belongs to the APIs. This chemical is a indole-ether quinazoline. The Classification Code of it is Antineoplastic Agents; Treatment of cancer.

2. Properties of Cediranib
Physical properties about Cediranib are:
(1)ACD/LogP: 3.52; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 3; (7)ACD/KOC (pH 7.4): 10; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 72.5Å2; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 126.464 cm3; (14)Molar Volume: 350.326 cm3; (15)Polarizability: 50.134x10-24cm3; (16)Surface Tension: 56.431 dyne/cm; (17)Enthalpy of Vaporization: 92.743 kJ/mol; (18)Boiling Point: 626.557 °C at 760 mmHg.

3. Structure Descriptors of Cediranib
You can still convert the following datas into molecular structure:
(1)SMILES: Fc4c5c(ccc4Oc3ncnc2cc(OCCCN1CCCC1)c(OC)cc23)nc(c5)C
(2)InChI: InChI=1/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
(3)InChIKey: XXJWYDDUDKYVKI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3(5)Std. InChIKey: XXJWYDDUDKYVKI-UHFFFAOYSA-N

4. Uses of Cediranib
Cediranib is highly potent, orally bioavailable, vascular endothelial growth factor receptor-2 tyrosine kinase inhibitor for the treatment of cancer. It is being developed as a possible anti-cancer chemotherapeutic agent for oral administration. It is undergoing Phase I clinical trials for the treatment of non-small cell lung cancer, kidney cancer, and colorectal cancer in adults, as well as tumors of the central nervous system in children.

5. History of Cediranib
On February 27, 2008, AstraZeneca announced that the use of Recentin in non-small cell lung cancer will not progress into phase III after failing to meet its main goal. On 8th March 2010, AstraZeneca issued a press-release stating that Recentin had failed Phase III clinical trials for use in first-line metastatic colorectal cancer when it was compared clinically with the market-leader bevacizumab. As of November 2012, it is currently in double-blind studies for the treatment of methelated Glioblastoma Multiforme at the University of Washington Medical Center at a 20mg daily dose.