[CAS NO. 2058-74-4] 1-Methylisatin
PRODUCTS SPECIFICATIONS [2058-74-4]
DESCRIPTION [2058-74-4]
Overview
| MDL | MFCD00005812 |
|---|---|
| Molecular Weight | 161.16 |
| Molecular Formula | C9H7NO2 |
| SMILES | O=C1N(C)C2=C(C=CC=C2)C1=O |
Summary
1-Methylisatin is a potent and selective CE (carboxylesterases) inhibitor, with K i s of 38.2 and 5.38 µM for hiCE and hCE1 , respectively. 1-Methylisatin interacts with Hb (human adult hemoglobin) by hydrophobic binding and electrostatic attraction. 1-Methylisatin can be used in the study of regulation of drug metabolism in vivo [1] [2] .
IC50 & Target
|
hiCE 38.2 μM (Ki) |
hCE1 5.38 μM (Ki) |
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : ≥ 125 mg/mL ( 775.63 mM )
* "≥" means soluble, but saturation unknown.
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 6.2050 mL | 31.0251 mL | 62.0501 mL |
| 5 mM | 1.2410 mL | 6.2050 mL | 12.4100 mL |
| 10 mM | 0.6205 mL | 3.1025 mL | 6.2050 mL |
References
- [1] Hyatt JL, et al. Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. J Med Chem. 2007 Apr 19;50(8):1876-85.
- [2] Mandal P, et al. Fluorescence spectroscopic characterization of the interaction of human adult hemoglobin and two isatins, 1-methylisatin and 1-phenylisatin: a comparative study. J Phys Chem B. 2009 Nov 12;113(45):14904-13.
Synonyms