CAS 2058-74-4|1-methylisatin
| Common Name | 1-methylisatin | ||
|---|---|---|---|
| CAS Number | 2058-74-4 | Molecular Weight | 161.157 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 294.3±23.0 °C at 760 mmHg |
| Molecular Formula | C9H7NO2 | Melting Point | 130-133 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 137.4±15.0 °C |
| Symbol | GHS05, GHS06 | Signal Word | Danger |
Names
| Name | 1-methylindole-2,3-dione |
|---|---|
| Synonym | More Synonyms |
1-methylisatin BiologicalActivity
| Description | 1-Methylisatin is a potent and selective CE (carboxylesterases) inhibitor, with Kis 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]. |
|---|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
| Target | hiCE:38.2 μM (Ki) hCE1:5.38 μM (Ki) |
| 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. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 294.3±23.0 °C at 760 mmHg |
| Melting Point | 130-133 °C(lit.) |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.157 |
| Flash Point | 137.4±15.0 °C |
| Exact Mass | 161.047684 |
| PSA | 37.38000 |
| LogP | 0.58 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.607 |
| InChIKey | VCYBVWFTGAZHGH-UHFFFAOYSA-N |
| SMILES | CN1C(=O)C(=O)c2ccccc21 |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 685 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 15,858,1981
Safety Information
| Symbol | GHS05, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H315-H318-H335 |
| Precautionary Statements | P261-P280-P301 + P310-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T: Toxic; |
| Risk Phrases | R25 |
| Safety Phrases | S26-S39-S45 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | NL7939000 |
| HS Code | 2933990090 |
Customs
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles5
More Articles| 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 113(45) , 14904-13, (2009) In this report, steady state and time-resolved fluorescence along with circular dichroism (CD) spectroscopic, FTIR, and anisotropy investigations were made to reveal the nature of the interactions bet... | |
| The hydrolysis of N-methylisatin: on how a simple rate-pH profile may mislead. Drug Des. Discov. 11(3) , 223-30, (1994) Alkaline hydrolysis of the title isatin 4 in unbuffered solution obeys a rate law such that kobs varies; is directly proportional to [OH-]2 at pH 10 changes smoothly to kobs varies; is directly propor... | |
| Straightforward stereoselective synthesis of spiro-epoxyoxindoles. Org. Lett. 9(9) , 1745-8, (2007) [reaction: see text] The in situ preparation of a sulfonium ylide reagent achieved the highly diastereoselective epoxidation of isatins, so that a new and straightforward access to biologically signif... |
Synonyms
| INDOLE-2,3-DIONE,1-METHYL |
| 1-Methyl-indole-2,3-dione |
| 1-Methyl-1H-indole-2,3-dione |
| 1H-Indole-2,3-dione, 1-methyl- |
| N-methylindol-2,3-dione |
| 1-Methylindole-2,3-dione |
| N-methylisatin |
| 1-methylindoline-2,3-dione |
| OL-57 |
| EINECS 218-164-9 |
| 1-methylisatin |
| 1-Methyl-2,3-indolinedione |
| N-methylindole-2,3-dione |
| MFCD00005812 |
| 1-methylindole-2,3(1H)-dione |
| N-Methylindoline-2,3-dione |
| 1H-Indole-2,3-dione,1-methyl |
