Basic information
- CAS
599151-35-6- Standard SMILES
CCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3- InChIKey
YKSYGLXHLSPWLB-UHFFFAOYSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Overview
blocks ability of late SV-40 factor to bind target promoters; structure in first source
Names & identifiers
- Preferred name
- 8-(2-ethoxyphenyl)-7,8-dihydro-(1,3)dioxolo(4,5-g)quinolin-6(5H)-one
- IUPAC
- 8-(2-ethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
- English name
- 8-(2-Ethoxyphenyl)-7,8-dihydro-1,3-Dioxolo[4,5-g]quinolin-6(5H)-one
- Molecular formula
- C18H17NO4
- Molecular weight
- 311.33
Names & synonyms
8-(2-ethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one8-(2-ethoxyphenyl)-7,8-dihydro-(1,3)dioxolo(4,5-g)quinolin-6(5H)-oneFQI1 compoundRefChem:914476factor quinolone inhibitor 1fqi1599151-35-6FQI 18-(2-ethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one8-(2-Ethoxyphenyl)-7,8-dihydro-1,3-Dioxolo[4,5-g]quinolin-6(5H)-one8-(2-ethoxyphenyl)-7,8-dihydro[1,3]dioxolo[4,5-g]quinolin-6(5H)-oneYKSYGLXHLSPWLB-UHFFFAOYSA-N
Show more names
FQI1 (FQI 1)FQI1 >=98% (HPLC)1,3-Dioxolo[4,5-g]quinolin-6(5H)-one, 8-(2-ethoxyphenyl)-7,8-dihydro-
FQI-1MLS000076596Factor quinolinone inhibitor 1orb1693414CHEMBL1309542SCHEMBL12469684SCHEMBL29433738SCHEMBL29433753
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 463.6 · 463.6±45.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL · DMSO: soluble10mg/mL (clear solution)
- form
- powder
- pka
- 13.36 · 13.36±0.40(Predicted)
- color
- white to beige
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months.
- InChI
- 1S/C18H17NO4/c1-2-21-15-6-4-3-5-11(15)12-8-18(20)19-14-9-17-16(7-13(12)14)22-10-23-17/h3-7,9,12H,2,8,10H2,1H3,(H,19,20)
- InChIKey
- YKSYGLXHLSPWLB-UHFFFAOYSA-N
- SMILES
- O=C1CC(C2=CC=CC=C2OCC)C3=CC4=C(OCO4)C=C3N1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
- risk_code
- 25-50
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N
- safety_code
- 45-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H301-H400
- Precautionary statements
- P273-P301+P310
Chemistry & industry
Applications
DescriptionFQI1 (599151-35-6) is an inhibitor of transcription factor LSF specifically targeting its DNA binding and corresponding transcriptional activity (IC50=2.1 μM). Rapidly induces apoptosis in an aggressive hepatocellular carcinoma (HCC) cell line and dramatically inhibits tumor growth in a mouse xenograft model with no general tissue cytotoxicity.1,2In human HCC cells, FQI1 induced mitotic arrest with an accompanying increase in cyclin B1.3Blocks LSF-stimulated activation of DNA methyltransferase 1.4Cell permeable.
UsesFQI1 is a Late SV40 Factor (LSF) inhibitor. FQI1 inhibits cell proliferation, with IC50s of 3, 0.79, 6.3 μM for NIH/3T3, HeLa, A549 cells. FQI1 can be used for cancer research[1].
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
晶墨(厦门)生物科技有限公司13621943973; 13621943973 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
西安莱茵生物科技有限公司
Related reactions
2 records
Compound notes
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