Basic information
- CAS
186611-52-9- Standard SMILES
COc1cc(OC)c(C=C2C(=O)Nc3ccccc32)c(OC)c1- InChIKey
JBJYTZXCZDNOJW-UHFFFAOYSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Names & identifiers
- Preferred name
- 3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
- IUPAC
- 3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one
- English name
- IC 261
- Molecular formula
- C18H17NO4
- Molecular weight
- 311.33
Names & synonyms
3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-oneMaybridge3_000754SCHEMBL905701CHEMBL576349GTPL5985orb1225849DTXSID201017155BDBM50008516s8237AKOS026750487IC-261(SU-5607)I1077
Show more names
CS-1551IC261, >98%IC261 (IC-261SU-5607 IC 261IC261, 10 mM in DMSOIC261SU5607IC 261SU 5607IC261 - CAS 186611-52-9 - CalbiochemIC 261, CK1delta and CK1epsilon inhibitor3-(2,4,6-Ttrimethoxybenzylidene)indolin-2-one
3-[(2,4,6-trimethoxyphenyl)methylene]indolin-2-oneQ270780202H-Indol-2-one, 1,3-dihydro-3-[(2,4,6-trimethoxyphenyl)methylene]-3-[(2,4,6-Trimethoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one
Database identifiers
- CAS
186611-52-9- PubChem CID
- 3674
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Melting point
- 214 °C · 214 °C
- Boiling point
- 555.179 · 555.179±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- protect from light
- solubility
- 18 mg/mL · DMSO: 18 mg/mL soluble
- form
- solid
- pka
- 12.475 · 12.475±0.20(predicted)
- color
- yellow
- Cosmetics Ingredients Functions
- HAIR DYEINGSKIN PROTECTING
- InChI
- 1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10-
- InChIKey
- JBJYTZXCZDNOJW-RAXLEYEMSA-N
- SMILES
- COc1cc(OC)c(\C=C2/C(=O)Nc3ccccc23)c(OC)c1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2933.79.8500
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
General DescriptionA cell-permeable, reversible, potent and selective inhibitor of Casein Kinase (CK1) that inhibits the CK1δ (IC50 = 0.7-1.3 μM) and CK1ε (IC50 = 0.6-1.4 μM) isozymes. Also inhibits CK1α1 at much higher concentrations (IC50 = 11-21 μM). The inhibition is competitive with respect to ATP. Has only a trivial effect on p34cdc2 and p55fyn (IC50s >100 μM). Blocks the phosphorylation of p53 by CK1δ and CK1ε, thereby modulating p53′s effect on the cell cycle. At low micromolar concentrations, IC261 inhibits cytokinesis causing a transient mitotic arrest.
Upstream & downstream products
Upstream raw materials
Suppliers84 total
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海波以尔化工有限公司[email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Related reactions
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Compound notes
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