1-methylisatin structure
|
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 | Chinese USA | Flash Point | 137.4±15.0 °C | |
Symbol |
GHS05, GHS06 |
Signal Word | Danger |
Use of 1-methylisatin1-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]. |
Name | 1-methylindole-2,3-dione |
---|---|
Synonym | More Synonyms |
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 | |
Target |
hiCE:38.2 μM (Ki) hCE1:5.38 μM (Ki) |
References |
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 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2058-74-4: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: orange to brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 129-133 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H7NO2 Molecular Weight: 161.16 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2058-74-4: NL7939000 LD50/LC50: Not available. Carcinogenicity: 1-Methylisatin - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 2058-74-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2058-74-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2058-74-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
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 |
Precursor 10 | |
---|---|
DownStream 10 | |
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% |
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... |
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 |