CAS Number2058-74-4
SynonymsINDOLE-2,3-DIONE,1-METHYL; 1-Methyl-indole-2,3-dione; 1-Methyl-1H-indole-2,3-dione; 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
Molecular FormulaC9H7NO2
Molecular Weight161.16
Purity97%
Density1.3±0.1 g/cm3
Boiling Point294.3±23.0 °C at 760 mmHg
Melting Point130-133 °C (lit.)
Appearancesolid
EINECS218-164-9
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2058-74-4 |
| Catalog No. | 2A-9086292 |
| Chinese Name | 1-甲基靛红 |
| Synonyms | INDOLE-2,3-DIONE,1-METHYL; 1-Methyl-indole-2,3-dione; 1-Methyl-1H-indole-2,3-dione; 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 |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.16 |
| Purity | 97 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 294.3±23.0 °C at 760 mmHg |
| Melting Point | 130-133 °C (lit.) |
| Appearance | solid |
| Storage Condition | Keep the container sealed and stored in a cool, dr |
| Application | 1-Methyl indocillin is a potent and selective CE (carboxylesterase) inhibitor, with Kis of hiCE and hCE1 being 38.2 and 5.38µM respectively. 1-Methyl isatin interacts with Hb (adult hemoglobin) throug |
| EINECS | 218-164-9 |
| HTC | 2933990090 |
| PubChem ID | 24851030 |
| MDL Number | MFCD00005812 |
| SMILES | CN1C(=O)C(=O)c2ccccc12 |
| InChI | 1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3 |
| InChI Key | VCYBVWFTGAZHGH-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/86292_1_2058_74_4.pdf |
| Bioactivity | 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 >> Others Signaling 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 |
| Use of | 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]. Properties Name 1-methylindole-2,3-dione Synonym More Synonyms 1-methylisatin Biological Activity 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 >> Others Signaling Pathways >> Others >> Others 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 Molecular Formula C9H7NO2 Exact Mass 161.047684 PSA 37.38000 Index of Refraction 1.607 InChIKey VCYBVWFTGAZHGH-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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