Basic information
- CAS
1110670-49-9- Standard SMILES
COCC1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2- InChIKey
SLQMNVJNDYLJSF-UHFFFAOYSA-N- Molecular formula
- C14H16N2O5S
- Average molar mass
- 324.35 g/mol
- Monoisotopic mass
- 324.07799279
Names & identifiers
- Preferred name
- 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
- IUPAC
- 5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
- English name
- 5-[(S)-(-)-2-(Methoxymethyl)pyrrolidino]sulfonylisatin
- Molecular formula
- C14H16N2O5S
- Molecular weight
- 324.35
Names & synonyms
1110670-49-95-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione5-((2-(Methoxymethyl)pyrrolidin-1-yl)sulfonyl)indoline-2,3-dioneorb2814676SCHEMBL3681391HY-W033813T2030485-[(s)-(-)-2-(methoxymethyl)pyrrolidino]sulfonylisatin5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindoline-2,3-dione5-[[2-(methoxymethyl)-1-pyrrolidinyl]sulfonyl]-1H-indole-2,3-dioneabs814635CASPASE-3/7 INHIBITOR I
Show more names
5-[(S)-(+)-2-(METHOXYMETHYL)PYRROLIDINO]SULFONYLISATIN5-[[2-(methoxymethyl)-1-pyrrolidinyl]sulfonyl]-1H-indole-25-[[2-(METHOXYMETHYL)-1-PYRROLIDINYL]SULFONYL]-1H-INDOLE-23-DIONE1H-Indole-2,3-dione, 5-[[2-(methoxymethyl)-1-pyrrolidinyl]sulfonyl]-5-{[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- solubility
- 50 mg/ml; · DMSO: 50 mg/ml; Methanol: 10 mg/ml
- form
- A crystalline solid
- pka
- 8.66 · 8.66±0.20(Predicted)
Chemistry & industry
Applications
UsesCaspase-3/7 inhibitor I is a potent and reversible inhibitor of caspase-3 and caspase-7, with Kis of 60 and 170 nM, respectively. Caspase-3/7 inhibitor I can inhibit apoptosis in Camptothecin (HY-16560)-treated Jurkat cells and in chondrocytes[1][2].
Suppliers8 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
4 records
Compound notes
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