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1-甲基靛红

1-甲基靛红用途

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]。

1-甲基靛红名称

[ CAS 号 ]:
2058-74-4

[ 中文名 ]:
1-甲基靛红

[ 英文名 ]:
1-methylisatin

[中文别名 ]:

[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-甲基靛红生物活性

[ 描述 ]:

[ 相关类别 ]:

研究领域 >> 其他

信号通路 >> 其他 >> 其他

[ 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.

1-甲基靛红物理化学性质

[ 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 ]:
室温，密封

1-甲基靛红MSDS

1-甲基靛红毒性和生态

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

1-甲基靛红安全信息

[ 符号 ]:

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

1-甲基靛红合成路线

1-甲基靛红上下游产品

1-甲基靛红上游产品

1-甲基靛红下游产品

1-甲基靛红海关

[ 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%

1-甲基靛红文献

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...

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