PD-153035

HCID 4705
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Grundinformationen

CAS
153436-54-5
Standard-SMILES
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
InChIKey
LSPANGZZENHZNJ-UHFFFAOYSA-N
Summenformel
C16H14BrN3O2
Durchschnittliche Molmasse
360,2 g/mol
Monoisotopische Masse
359,02693879

Überblick

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+).

Namen und Bezeichner

Bevorzugter Name
PD-153035
IUPAC
N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
Englischer Name
PD 153035 hydrochloride
Summenformel
C16H14BrN3O2
Molmasse
360.21

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4
Polarare Oberfläche (TPSA)
56,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
4
Schwere Atome
22

Physikochemische Eigenschaften

Schmelzpunkt
189 · 189-190 °C
Siedepunkt
472.1 · 472.1±45.0 °C(Predicted)
Dichte
1.499 · 1.499±0.06 g/cm3(Predicted)
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit
Soluble in DMSO (up to 5 mg/ml).
Aggregatzustand
White to off-white solid.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk
WGK 1
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenPD153035 is an inhibitor of EGFR, competitive with ATP. EGF Receptor: IC50 = 25 pM (Ki = 6 pM).

Vor- und nachgelagerte Produkte

Anbieter100 Anbieter

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]

Ergänzende Hinweise

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.

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