Basic information
- CAS
186611-56-3- Standard SMILES
Cc1cc(C)c(C=C2C(=O)Nc3ccc(Cl)cc32)[nH]1- InChIKey
XLBQNZICMYZIQT-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2O
- Average molar mass
- 272.73 g/mol
- Monoisotopic mass
- 272.0716407
Names & identifiers
- Preferred name
- 5-Chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydroindol-2-one
- IUPAC
- 5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
- English name
- 2H-Indol-2-one, 5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-
- Molecular formula
- C15H13ClN2O
- Molecular weight
- 272.73
Names & synonyms
5-Chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydroindol-2-one5-Chloro-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-1,3-dihydroindol-2-oneRefChem:5346535-CHLORO-3-(3,5-DIMETHYL-1H-PYRROL-2-YLMETHYLENE)-1,3-DIHYDRO-INDOL-2-ONE5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]indolin-2-oneSCHEMBL2126784DTXSID201145213AKOS026750434SB64044F311855-chloro-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylene]-1,3-dihydro-2 H-indol-2-one5-Chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one
Show more names
2H-Indol-2-one, 5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-1,3-dihydro-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 508.6 · 508.6±50.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL · DMSO: 10mg/mL
- pka
- 11.52 · 11.52±0.20(Predicted)
- form
- solid
- color
- orange-red
- InChI
- 1S/C15H13ClN2O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,1-2H3,(H,18,19)
- InChIKey
- XLBQNZICMYZIQT-UHFFFAOYSA-N
- UNSPSC Code
- 12352200 · 12352200
- Hazard statements
- 413 · H413
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H413
Chemistry & industry
Applications
UsesA potent, cell-permeable, reversible, ATP-competitive, and selective inhibitor of VEGF (Flk-1; IC50 = 1.2 µM) and PDGF (IC50 = 2.9 µM) receptor tyrosine kinases. Does not have any effect on the EGF and IGF receptor tyrosine kinases. Also inhibits the VEGF-driven mitogenesis of human umbilical vein endothelial cells (HUVECs; IC50 ≤ 680 nM). Inhibits Flt3 phosphorylation in Flt3/Itd-BaF3 cells.
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Additional notes
DefinitionChEBI: SU5614 is a member of the class of oxindoles that is 5-chlorooxindole in which the two hydrogens at position 3 are replaced by a (3,5-dimethylpyrrol-2-yl)methylidene group. It has a role as a vascular endothelial growth factor receptor antagonist. It is a member of pyrroles, a member of oxindoles and an organochlorine compound.
Related reactions
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Compound notes
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