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PD 153035 hydrochloride

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Name

PD 153035 hydrochloride

EINECS N/A
CAS No. 153436-54-5 Density 1.499g/cm3
PSA 56.27000 LogP 5.02810
Solubility N/A Melting Point 189-190 °C
Formula C16H15BrClN3O2 Boiling Point 472.1 °C at 760 mmHg
Molecular Weight 360.21 Flash Point 239.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 153436-54-5 (PD 153035 HYDROCHLORIDE) Hazard Symbols N/A
Synonyms

N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride (1:1);AG 1517;NSC 669364;PD 153035;WHI-P 79;

Article Data 12

PD 153035 hydrochloride Specification

This product is an organic compound with the formula C16H15BrClN3O2. The systematic name of this chemical is N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride (1:1). With the CAS registry number 153436-54-5, it is also named as 4-Quinazolinamine, N-(3-bromophenyl)-6,7-dimethoxy-, hydrochloride (1:1). It is yellowish solid which is soluble to 10 mM in DMSO. Additionally, this chemical should be stored at room temperature.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 35.36; (6)ACD/BCF (pH 7.4): 53.63; (7)ACD/KOC (pH 5.5): 396.15; (8)ACD/KOC (pH 7.4): 600.8; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)Flash Point: 239.3 °C; (12)Enthalpy of Vaporization: 73.5 kJ/mol; (13)Boiling Point: 472.1 °C at 760 mmHg; (14)Vapour Pressure: 4.38E-09 mmHg at 25°C.

Preparation: It can be obtained by 3-bromo-aniline and 4-chloro-6,7-dimethoxy-quinazoline. This reaction needs reagent aq. satd. Na2CO3 and solvent ethanol by heating. The reaction time is 0.5 hours.
 

Uses of N-(3-Bromophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride (1:1): It is an extremely potent inhibitor of epidermal growth factor (EGF) receptor tyrosine kinase, with an IC 50 of 25 pM. And it can inhibit other purified tyrosine kinases only at micromolar or higher concentrations.

People can use the following data to convert to the molecule structure. 
1. SMILES:Cl.Brc1cccc(c1)Nc3ncnc2c3cc(OC)c(OC)c2
2. InChI:InChI=1/C16H14BrN3O2.ClH/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;/h3-9H,1-2H3,(H,18,19,20);1H

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