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2058-74-4生产厂家

2058-74-4价格

相关CAS号：
2058-74-4 3484-32-0
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10328-92-4 99448-81-4

2058-74-4

2058-74-4结构式
2058-74-4结构式
  • 常用中文名：1-甲基靛红
  • 常用英文名：1-methylisatin
  • CAS号：2058-74-4
  • 分子式：C9H7NO2
  • 分子量：161.157
  • 相关类别： 研究领域 其他
  • 发布时间：2018-03-12 08:00:00
  • 更新时间：2024-01-05 20:57:26
  • 1-甲基靛青霉素是一种强效和选择性的CE(羧酸酯酶)抑制剂,hiCE和hCE1的Kis分别为38.2和5.38µM。1-甲基靛红通过疏水结合和静电吸引与Hb(成人血红蛋白)相互作用。1-甲基靛红可用于体内药物代谢调控的研究[1][2]。

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中文名 1-甲基靛红
英文名 1-methylindole-2,3-dione
中文别名 1-甲基吲哚-2,3-二酮
1-甲基-2,3-吲哚二酮
N-甲基靛紅
英文别名 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
描述 1-甲基靛青霉素是一种强效和选择性的CE(羧酸酯酶)抑制剂,hiCE和hCE1的Kis分别为38.2和5.38µM。1-甲基靛红通过疏水结合和静电吸引与Hb(成人血红蛋白)相互作用。1-甲基靛红可用于体内药物代谢调控的研究[1][2]。
相关类别
靶点

hiCE:38.2 μM (Ki)

hCE1:5.38 μM (Ki)
参考文献

[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.
密度 1.3±0.1 g/cm3
沸点 294.3±23.0 °C at 760 mmHg
熔点 130-133 °C(lit.)
分子式 C9H7NO2
分子量 161.157
闪点 137.4±15.0 °C
精确质量 161.047684
PSA 37.38000
LogP 0.58
外观性状 橙色至褐色结晶粉末
蒸汽压 0.0±0.6 mmHg at 25°C
折射率 1.607
储存条件

保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

稳定性

如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

计算化学

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积37.4

7.重原子数量:12

8.表面电荷:0

9.复杂度:237

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1
更多

1. 性状：粉末

2. 密度（g/mL,25ºC）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：131-133

5. 沸点（ºC）：未确定

6. 沸点（ºC，5.5mmHg）：未确定

7. 折射率：未确定

8. 闪点（°F）：未确定

9. 比旋光度（ºF）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,20ºC）：未确定

12. 饱和蒸气压（kPa,45ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：未确定

Name: 1-Methylisatin 98% Material Safety Data Sheet
Synonym:
CAS: 2058-74-4
Section 1 - Chemical Product MSDS Name:1-Methylisatin 98% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2058-74-4 1-Methylisatin 98% 218-164-9
Hazard Symbols: None Listed.
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

毒理学数据:

1、急性毒性：小鼠经腹腔LD50：698mg/kg；

生态学数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL7939000
CHEMICAL NAME :
Indole-2,3-dione, 1-methyl-
CAS REGISTRY NUMBER :
2058-74-4
BEILSTEIN REFERENCE NO. :
0128280
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H7-N-O2
MOLECULAR WEIGHT :
161.17
WISWESSER LINE NOTATION :
T56 BNVVJ B1

HEALTH HAZARD DATA

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

符号 GHS05 GHS06
GHS05, GHS06
信号词 Danger
危害声明 H301-H315-H318-H335
警示性声明 P261-P280-P301 + P310-P305 + P351 + P338
个人防护装备 Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
危害码 (欧洲) T: Toxic;
风险声明 (欧洲) R25
安全声明 (欧洲) S26-S39-S45
危险品运输编码 UN 2811 6.1/PG 3
WGK德国 3
RTECS号 NL7939000
海关编码 2933990090
海关编码 2933990090
中文概述 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
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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