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PD153035

CAT: 0127-BUP13608-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13608-04Size:100 mg
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CAS Number
153436-54-5
Synonyms
NSC 669364, ZM 252868, SU-5271, AG1517
Purity
=98%
Smiles
COC1=CC2=NC=NC(NC3=CC(Br)=CC=C3)=C2C=C1OC

Chemical Information

PD-153035

PD-153035 is a member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an epidermal growth factor receptor antagonist. It is an aromatic amine, an aromatic ether, a member of bromobenzenes, a member of quinazolines and a secondary amino compound. It is a conjugate base of a PD-153035(1+).

CAS Number153436-54-5
PubChem CID4705
IUPAC NameN-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
Molecular FormulaC16H14BrN3O2
Molecular Weight360.20
XLogP4
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity360
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C16H14BrN3O2/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)
InChIKey
LSPANGZZENHZNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD-153035
CAS: 153436-54-5
CID: 4705
Formula: C16H14BrN3O2
MW: 360.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.20
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass359.02694
Monoisotopic Mass359.02694
Topological Polar Surface Area56.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E1KS1079PD153035
S1079-50mgPD153035 HCl
A8199-10PD153035 hydrochloride
MBS5811608PD153035 nitrate
HY-12013-01PD153035 (Hydrochloride)

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