Basic information
- CAS
174709-30-9- Standard SMILES
Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc21- InChIKey
YAMAGACQNDAKFB-UHFFFAOYSA-N- Molecular formula
- C16H12BrN5
- Average molar mass
- 354.2 g/mol
- Monoisotopic mass
- 353.02761
Names & identifiers
- Preferred name
- Bpiq-i
- IUPAC
- N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine
- English name
- BPIQ-I
- Molecular formula
- C16H12BrN5
- Molecular weight
- 354.2
Names & synonyms
bpiq-i174709-30-9N-(3-bromophenyl)-3-methyl-3H-imidazo[4,5-g]quinazolin-8-amineDTXSID60274366N-(3-bromophenyl)-3-methyl-3H-imidazo(4,5-g)quinazolin-8-amineRefChem:1080118DTXCID30225845N-(3-bromophenyl)-3-methylimidazo[4,5-g]quinazolin-8-amine3H-Imidazo[4,5-g]quinazolin-8-amine, N-(3-bromophenyl)-3-methyl-Imidazoquinazoline deriv. 128-[(3-Bromophenyl)amino]-3-methyl-3H-imidazo[4,5-g]-quinazolineBDBM3574
Show more names
8-[(3-BROMOPHENYL)AMINO]-3-METHYL-3H-IMIDAZO[4,5-GAMMA]-QUINAZOLINE
CHEMBL174426GTPL5939orb1739253SCHEMBL17931472HMS3229C05EX-A10920HSCI1_000090MFCD02179191
Database identifiers
- CAS
174709-30-9- PubChem CID
- 2427
- DTXSID
DTXSID60274366- ChEMBL
CHEMBL174426- Nikkaji
- J720.939H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 535.5 · 535.5±60.0 °C(Predicted)
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml
- form
- A crystalline solid
- pka
- 5.12 · 5.12±0.50(Predicted)
Chemistry & industry
Applications
DescriptionBPIQ-I is a quinazoline that inhibits the tyrosine kinase activity of the epidermal growth factor receptor (IC50 = 0.025 nM). It can inhibit the growth of SKOV3 and MDA-468 tumor cell lines with EC50 values of 6.5 and 30 μM, respectively.
UsesBPIQ-I (PD 159121) is a potent and ATP-competitive EGFR tyrosine kinase inhibitor.. BPIQ-I shows anti-proliferative actively[1][2].
Suppliers10 total
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
BOC Sciences16314854226 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…