N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
Grundinformationen
- CAS
175178-82-2- Standard-SMILES
COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC- InChIKey
GFNNBHLJANVSQV-UHFFFAOYSA-N- Summenformel
- C16H14ClN3O2
- Durchschnittliche Molmasse
- 315,75 g/mol
Überblick
Tyrphostin AG 1478 is a member of the class of quinazolines that is quinazoline substituted by methoxy groups at positions 6 and 7 and a (3-chlorophenyl)nitrilo group at position 4. It acts as an epidermal growth factor receptor antagonist. It has a role as a geroprotector, an antiviral agent, an antineoplastic agent and an epidermal growth factor receptor antagonist. It is an aromatic ether, a member of quinazolines and a member of monochlorobenzenes.
Namen und Bezeichner
- Bevorzugter Name
- N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
- IUPAC
- N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
- Englischer Name
- AG 1478
- Summenformel
- C16H14ClN3O2
- Molmasse
- 315.75
Namen und Synonyme
153436-53-4AG-14784-Quinazolinamine, N-(3-chlorophenyl)-6,7-dimethoxy-N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamineAG-1478 free baseSUH0SEZ9HYNSC-693255(3-Chlorophenyl)(6,7-dimethoxyquinazolin-4-yl)amineRefChem:389357Tyrphostin AG 1478N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine175178-82-2
Weitere Namen anzeigen
COMPOUND 32AG 1517SU 5271WHI-P 79NSC 669364PD-153,035Tyrphostin AGAG 1478 USP/EP/BP
Tyrphostin AG-1478AG 14784-(3-Chloroanilino)-6,7-dimethoxyquinazolineAG1478tyrphostin AG1478MFCD00270914AG-1478 (Tyrphostin AG-1478)DTXSID0051447
Datenbank-Bezeichner
- CAS
175178-82-2- ChEMBL
CHEMBL7917- ChEBI
CHEBI:75404
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
- Formalladung
- 0
- Komplexität
- 360
Experimentelle und physikochemische Eigenschaften
LogP3.51
Collision Cross Section177.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0051447]
Physikochemische Eigenschaften
- Schmelzpunkt
- 180 · 180 - 183°C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 0.1 M · 0.1 M HCl: soluble <0.4 mg/mL
- Aggregatzustand
- Pale yellow solid
- Farbe
- Off-white
- Stabilität
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 3 months.
- InChI
- 1S/C16H14ClN3O2/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
- GFNNBHLJANVSQV-UHFFFAOYSA-N
- SMILES
- Clc1cc(ccc1)Nc2ncnc3c2cc(c(c3)OC)OC
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Anwendungen
VerwendenTyrphostin AG 1478 is a potent and selective inhibitor of EGFR.
Anbieter31 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
上海保信化学有限公司+86-021-37788663
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
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