4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline

HCID 5687
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Basic information

CAS
211555-08-7
Standard SMILES
COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
InChIKey
BNDYIYYKEIXHNK-UHFFFAOYSA-N
Molecular formula
C16H15N3O3
Average molar mass
297.31 g/mol
Monoisotopic mass
297.11134135

Names & identifiers

Preferred name
4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline
IUPAC
3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
English name
Phenol, 3-[(6,7-diMethoxy-4-quinazolinyl)aMino]-
Molecular formula
C16H15N3O3
Molecular weight
297.31

Names & synonyms

4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE4-(3-Hydroxyanilino)-6,7-DimethoxyquinazolineRefChem:513272whi-p180211555-08-73-[(6,7-dimethoxyquinazolin-4-yl)amino]phenolWHI-P180, Hydrochloride3-((6,7-Dimethoxyquinazolin-4-yl)amino)phenol3-[(6,7-Dimethoxy-4-quinazolinyl)amino]phenolCHEMBL127907MFCD02683970JANEX 3
Show more names
WHI-P180, >98%WHI-P180(Janex 3)WHI-P180, 10 mM in DMSOWHI P180JANEX3WHIP180JANEX-3Phenol, 3-[(6,7-diMethoxy-4-quinazolinyl)aMino]-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol (Related Reference)WHI-P-180,HER1,Janex3,WHI P180,RET,EGFR,Vascular endothelial growth factor receptor,Inhibitor,Janex-3,WHIP180,inhibit,WHI-P180,VEGFR,ErbB-1,Epidermal growth factor receptor
DTQ4btk1di83-(6,7-dimethoxyquinazolin-4-ylamino)phenolAnilinoquinazoline deriv. 5WHI-P180(Janex 3)?BDBM4622orb1225684

Database identifiers

CAS
211555-08-7
PubChem CID
5687
DTXSID
DTXSID50943478
ChEMBL
CHEMBL127907
Nikkaji
J1.074.540C

Properties

Computed structural properties

XLogP
3
Topological polar surface area
76.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

Physicochemical properties

Boiling point
476.5 · 476.5±40.0 °C(Predicted)
Density
1.336 · 1.336±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
solubility
25 mg/mL · DMSO : 25 mg/mL (84.09 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
form
Powder
pka
9.58 · 9.58±0.10(Predicted)

Safety & regulation

Safety data

wgk
WGK 1
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

UsesWHI-P180 (Janex 3) is a multi-kinase inhibitor; inhibits RET, KDR and EGFR with IC50s of 5 nM, 66 nM and 4 μM, respectively.

Suppliers68 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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