Basic information
- CAS
153436-53-4- Standard SMILES
COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC- InChIKey
GFNNBHLJANVSQV-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O2
- Average molar mass
- 315.75 g/mol
- Monoisotopic mass
- 315.07745437
Overview
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.
Names & identifiers
- Preferred name
- N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
- IUPAC
- N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
- English name
- Ag 1478 hydrochloride
- Molecular formula
- C16H14ClN3O2
- Molecular weight
- 315.75
Names & synonyms
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
Show more names
-1478)AG1478HClNSC 693255AG-1478, >98%AG-1478 AG1478AG-1478 (NSC-693255)-1478 (Tyrphostin AgAg 1478 hydrochlorideAG-1478, 10 mM in DMSO
Tyrphostin AG-1478AG 14784-(3-Chloroanilino)-6,7-dimethoxyquinazolineAG1478tyrphostin AG1478MFCD00270914AG-1478 (Tyrphostin AG-1478)DTXSID0051447
Database identifiers
- CAS
153436-53-4
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
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
LogP3.51
Collision Cross Section177.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0051447]
Physicochemical properties
- Melting point
- 247 °C · 247 °C(dec.)
- Boiling point
- 458.5 · 458.5±45.0 °C(Predicted)
- Density
- 1.337 · 1.337
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- 2 O; · insoluble in H2O; ≥15.8 mg/mL in DMSO; ≥2.38 mg/mL in EtOH with gentle warming
- form
- White to light yellow solid.
- pka
- 5.54 · 5.54±0.30(Predicted)
- color
- Light orange to Yellow to Green
- λmax
- 332 nm · 332nm(lit.)
- FDA UNII
- 0 SEZ9HY · SUH0SEZ9HY
- Symbol(GHS)
Safety & regulation
GHS classification
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- rtecs
- VA0953000
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Pharmacology
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.
Applications
UsesA highly potent and specific EGFR tyrosine kinase inhibitor with an IC50 of 3 nM.
UsesAG 1478 Hydrochloride is an epidermal growth factor receptor tyrosine kinase inhibior (EGFR inhibtor).
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
2 records
Compound notes
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