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3-甲基吲哚

3-甲基吲哚用途

Skatole 是肠道菌群产生的物质,通过激活芳基烃受体 (aryl hydrocarbon receptors) 和 p38 调节肠上皮细胞功能。

3-甲基吲哚名称

[ CAS 号 ]:
83-34-1

[ 中文名 ]:
3-甲基吲哚

[ 英文名 ]:
3-Methylindole

[中文别名 ]:

[英文别名 ]:

SKATOLE(RG)
3-MI
MFCD00005627
3-Methyl-1H-indole
SKATOL
EINECS 201-471-7
1H-Indole, 3-methyl-
3-Methylindole
SCATOLE
β-Methylindole

3-甲基吲哚生物活性

[ 描述 ]:

Skatole 是肠道菌群产生的物质,通过激活芳基烃受体 (aryl hydrocarbon receptors) 和 p38 调节肠上皮细胞功能。

[ 相关类别 ]:

研究领域 >> 其他

信号通路 >> 免疫及炎症 >> 芳基烃受体

[ 靶点 ]

p38

Aryl hydrocarbon receptor

[参考文献]

[1]. Kurata K, et al. Skatole regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38. Biochem Biophys Res Commun. 2019 Feb 7.

3-甲基吲哚物理化学性质

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
265.1±9.0 °C at 760 mmHg

[ 熔点 ]:
92-97 °C(lit.)

[ 分子式 ]:
C₉H₉N

[ 分子量 ]:
131.17

[ 闪点 ]:
112.5±11.3 °C

[ 精确质量 ]:
131.073502

[ PSA ]:
15.79000

[ LogP ]:
2.60

[ 外观性状 ]:
白色或略棕色片

[ 蒸汽压 ]:
0.0±0.5 mmHg at 25°C

[ 折射率 ]:
1.655

[ 储存条件 ]:
存放于惰性气体之中;避免光,空气

[ 稳定性 ]:
Stable, but light-sensistive. Stench! Incompatible with strong oxidizing agents, strong acids, acid ahydrides, acid chlorides. Combustible.

[ 水溶解性 ]:
水溶性：可溶；可溶于：丙酮,氯仿,乙醚,苯,醇

3-甲基吲哚MSDS

3-甲基吲哚毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NM0350000

CHEMICAL NAME :: Indole, 3-methyl-

CAS REGISTRY NUMBER :: 83-34-1

LAST UPDATED :: 199701

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C9-H9-N

MOLECULAR WEIGHT :: 131.19

WISWESSER LINE NOTATION :: T56 BMJ D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3450 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,863,1976

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 470 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 14,111,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 175 mg/kg

TOXIC EFFECTS :: Liver - other changes Kidney, Ureter, Bladder - other changes Blood - other changes

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,863,1976

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,1354,1989

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 435 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 19,307,1922

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - domestic

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - chronic pulmonary edema

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,863,1976

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - cattle

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - emphysema Lungs, Thorax, or Respiration - chronic pulmonary edema

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,863,1976

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cattle

DOSE/DURATION :: 60 mg/kg

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - emphysema Lungs, Thorax, or Respiration - chronic pulmonary edema

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,863,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0419 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 83 (estimated) No. of Female Employees: 83 (estimated)

3-甲基吲哚安全信息

[ 符号 ]:

GHS07, GHS09

[ 信号词 ]:
Warning

[ 危害声明 ]:
H315-H319-H335-H411

[ 警示性声明 ]:
P261-P273-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi:Irritant

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36

[ 危险品运输编码 ]:
UN3077 - class 9 - PG 3 - DOT/IATA UN3335 - Environmentally hazardous substances, solid, n.o.s., HI: all (not BR)

[ WGK德国 ]:
2

[ RTECS号 ]:
NM0350000

[ 海关编码 ]:
2933990090

3-甲基吲哚合成路线

3-甲基吲哚上下游产品

3-甲基吲哚上游产品

3-甲基吲哚下游产品

3-甲基吲哚制备

用苯肼以苯稀释，在搅拌下滴加丙醛苯溶液，在回流温度下反应。滴加完毕后，继续搅拌1小时，反应完毕，蒸出水和苯。减压收取112～117℃(133.3～266.6)Pa丙醛苯腙，得率90%左右。将丙醛苯腙加入适量无水氯化锌加热到180℃，反应脱氨环化得到所需产物。

3-甲基吲哚海关

[ 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%

3-甲基吲哚文献

Olfactometry Profiles and Quantitation of Volatile Sulfur Compounds of Swiss Tilsit Cheeses.

J. Agric. Food Chem. 63 , 7511-21, (2015)

To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry...

Fluorescence of tryptophan in designed hairpin and Trp-cage miniproteins: measurements of fluorescence yields and calculations by quantum mechanical molecular dynamics simulations.

J. Phys. Chem. B 117(6) , 1790-809, (2013)

The quantum yield of tryptophan (Trp) fluorescence was measured in 30 designed miniproteins (17 β-hairpins and 13 Trp-cage peptides), each containing a single Trp residue. Measurements were made in D(...

Investigation of the sunscreen octocrylene's interaction with amino acid analogs in the presence of UV radiation.

Photochem. Photobiol. 88(4) , 904-12, (2012)

Octocrylene is an organic UV filter, commonly used in sunscreens and cosmetics, which can give rise to both contact and photocontact allergy. Our aim was to investigate octocrylene's interaction with ...

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