PD-153035

HCID 4705
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Basic information

CAS
153436-54-5
Standard SMILES
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
InChIKey
LSPANGZZENHZNJ-UHFFFAOYSA-N
Molecular formula
C16H14BrN3O2
Average molar mass
360.2 g/mol
Monoisotopic mass
359.02693879

Overview

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+).

Names & identifiers

Preferred name
PD-153035
IUPAC
N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
English name
PD 153035 hydrochloride
Molecular formula
C16H14BrN3O2
Molecular weight
360.21

Names & synonyms

153436-54-5N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-aminePD153035PD-153035AG-1517WHI-P-79NSC-669364SU 5271SU-52714-(3-bromophenylamino)-6,7-dimethoxyquinazolineGI 230329A(3-Bromophenyl)(6,7-dimethoxyquinazolin-4-yl)amine
Show more names
A -1517PD153035HClAG-1517 HClZinc00600292PD 153035(AG-1517)PD153035, 10 mM in DMSOPD 153035 hydrochlorideZM 252868AG 1517PD153035 (Tyrphostin AG 1517)AG1517
4-QUINAZOLINAMINE, N-(3-BROMOPHENYL)-6,7-DIMETHOXY-CHEBI:91076DTXSID80165328RefChem:858788DTXCID5087819pd 153035MFCD00934896C16H14BrN3O2

Database identifiers

CAS
153436-54-5
PubChem CID
4705
DTXSID
DTXSID80165328
ChEMBL
CHEMBL29197
ChEBI
CHEBI:91076
UNII
TC62B68RSL
EC Number
802-811-2
Nikkaji
J611.454G

Properties

Computed structural properties

XLogP
4
Topological polar surface area
56.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22

Physicochemical properties

Melting point
189 · 189-190 °C
Boiling point
472.1 · 472.1±45.0 °C(Predicted)
Density
1.499 · 1.499±0.06 g/cm3(Predicted)
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
solubility
Soluble in DMSO (up to 5 mg/ml).
form
White to off-white solid.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

wgk
WGK 1
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Applications · 3 items

DescriptionAG-1517 HCl (153436-54-5) is an ultra-potent inhibitor of epidermal growth factor receptor tyrosine kinase (EGFR), with an IC50 of 25 pM. Inhibits other tyrosine kinases at micromolar or higher concentrations. It selectively blocks EGF-mediated cellular processes including mitogenesis, early gene expression and oncogenic transformation.1Inhibits the growth of a number of cancer cell lines.2AG-1517 HCl is an extremely useful tool for exploring EGF-mediated cellular signaling.3

UsesPD 153035 is an extremely potent and specific inhibitor of EGFR tyrosine kinase activity.

UsesPD153035 is an inhibitor of EGFR, competitive with ATP. EGF Receptor: IC50 = 25 pM (Ki = 6 pM).

Upstream & downstream products

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]

Additional notes

DefinitionChEBI: A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.

Related reactions

1 records
New reaction record

Compound notes

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