532-11-6

• 常用中文名：茴三硫
• 常用英文名：Anethole trithione
• CAS号：532-11-6
• 分子式：C₁₀H₈OS₃
• 分子量：240.365
• 相关类别： 原料药 消化系统用药 利胆药
• 发布时间：2018-05-30 08:00:00
• 更新时间：2026-06-30 16:27:07
• Anethole trithione是治疗口干使用的药物, 正在研究治疗癌症。
• 本药为胆汁成分分泌促进剂，具有以下作用特点：1.能促进胆汁的排出，使胆酸、胆色素及胆固醇等固体成分的分泌量显著增加，特别是增加胆色素分泌；2.本 药还能明显增强肝脏谷胱甘肽水平，显著增强谷氨酰半胱氨酸合成酶、谷胱甘肽还原酶等活性，从而显著增强肝细胞活力，使胆汁分泌增多。能消除肝炎病灶的肝充 血等症状，促进肝细胞活化，有利于肝功能恢复正常；3.本药有催涎促消化作用，能促进唾液分泌，对抗精神病药物引起的唾液减少特别有效；能促进胃肠道蠕动 和肠管内气体排出，可迅速消除腹胀、便秘、口臭、恶心、腹痛等消化不良症状；4.本药还有分解胆固醇作用和解毒作用，能促进体内醇类物质快速代谢而消除， 降低血中胆固醇含量并防止其沉着或附着于血管内壁；对酒精、药物、食物等引起的中毒具有很好的解毒作用和抗过敏作用；5.本药还能促进尿素的生成和排泄， 有明显的利尿作用。
  

名称

• 中文名: 胆维他
• 英文名: 5-(4-methoxyphenyl)dithiole-3-thione
• 中文别名: 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊二烯-3-硫酮; 胆维它; 茴三硫标准品; 3-对甲氧苯基三硫酮; 茴香脑三硫酮; 34S3]-茴香脑三硫酮; 胆维他标准品; 胆维他,茴香脑三硫酮、茴三硫; ANETHOLE TRITHIONE 胆维他; 茴三硫 Anethol Trithione; 茴三硫,胆维他; 5-(对甲氧基苯基)-1,2-二硫环戊-4-烯-3-硫酮; 茴三硫,10 MM DMSO 溶液; 茴三硫(胆维他), 5-(对甲氧基苯基)-1,2-二硫环戊-4-烯-3-硫酮; 茴香脑三硫酮、茴三硫; 茴三硫对照品; 茴三硫(中间体); 5-(对-甲氧基苯基)-1,2-二硫环戊烯-3-硫酮; 5-(4-甲氧基苯基)-3H-1,2-二硫杂环戊烯-3-硫酮
• 英文别名: 5-(p-Methoxyphenyl)-1,2-dithiocyclopenten-3-thione; Anethol Trithione,Felviten; (p-Methoxyphenyl)trithiopropene; Anetholetrithion; Tiotrifar; 3-(p-anisy)trithione; Sulfarlem; 3-(p-Methoxyphenyl)trithione; Trithio-(p-methoxyphenyl)propene; Trithio-p-methoxyphenylpropene; 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione; Tiotrif; 5-(4-methoxyphenyl)-3h-2-dithiole-3-thione; Halpen; EINECS 208-528-5; 34S3]-Anethole trithione; (E)-O-4-(prop-1-enyl)-5,6-dithioxocyclohexa-1,3-dienyl methanethioate; 5-(p-Methoxyphenyl)-1,2-dithiacyclopent-4-ene-3-thione; 5-(4-methoxyphenyl)-1,2-dithiole-3-thione; Sulfogal; Anetholi Trithionum; 3-(p-Methoxyphenyl)-4,5-dithiacyclopent-2-ene-1-thione; 3-(p-Anisyl)trithione; MFCD00129751; methanethioic acid O-[4-prop-1-enyl-2,3-bis(sulfanylidene)cyclohexyl] ester; Trithio; 5-(4-methoxyphenyl)-3h-1,2-dithiole-3-thione; Sulfralem; AnetholTrithione; Heporal; 3-(p-Anisyl)-4,5-dithiacyclopent-2-ene-1-thione; Horal; Anethali Trithinum; 3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl); Anethole (trithione); 3H-1,2-Dithiole-3-thione, 5-(p-methoxyphenyl); Anise trisulfide/Galveta; Anethole trithione, 10 mM in DMSO; TIANFU-CHEM - Anethole trithione; Mucinol; Sufralem; Trithioanethole; Felviten; Anethol trithione ,5-(4-Methoxyphenyl)-1,2-dithiole-3-thione; 5-(p-methoxyphenyl)-3h-2-dithiole-3-thione; 5-(p-Methoxyphenyl)-3H-1,2-dithiole-3-thione; 4-(prop-1-en-1-yl)-5,6-disulfanylidenecyclohexa-1,3-dien-1-yl cbothioate; skf1717; Anethole trithione //BP; Sulflem; Tiopropen; anetholtrithion; 3-(p-Methoxyphenyl)-trithione; ANETHOLE TRITHIONE

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 398.1±52.0 °C at 760 mmHg
• 熔点: 23 C
• 分子式: C₁₀H₈OS₃
• 分子量: 240.365
• 闪点: 194.6±30.7 °C
• 精确质量: 239.973724
• PSA: 105.50000
• LogP: 3.39
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.732
• 储存条件: 库房通风低温干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.8

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积:91.9

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:254

  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

生物活性

• 描述: Anethole trithione是治疗口干使用的药物, 正在研究治疗癌症。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 癌症

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : JP1292500 CHEMICAL NAME : 3H-1,2-Dithiole-3-thione, 5-(p-methoxyphenyl)- CAS REGISTRY NUMBER : 532-11-6 BEILSTEIN REFERENCE NO. : 0158393 LAST UPDATED : 199612 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C10-H8-O-S3 MOLECULAR WEIGHT : 240.36 WISWESSER LINE NOTATION : T5SSYTJ CUS ER DO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 25,815,1994 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 35 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,244,1954 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1480 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,38,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1780 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,25,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 6 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,25,1982 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 8640 mg/kg/24W-I TOXIC EFFECTS : Liver - changes in liver weight Endocrine - changes in adrenal weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 12,79,1976

安全

• 危害码 (欧洲): Xi
• 海关编码: 2930909090

合成路线

104-46-1 ~% 532-11-6

文献：EP1980559 A1, ; Page/Page column 9 ; EP 1980559 A1

4180-23-8 ~% 532-11-6

文献：Justus Liebigs Annalen der Chemie, , vol. 557, p. 89,105 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 224, p. 479

75-15-0 100-06-1 ~89% 532-11-6

文献：Curphey; Libby Tetrahedron Letters, 2000 , vol. 41, # 36 p. 6977 - 6980

25679-28-1 ~% 532-11-6

文献：EP1645288 A1, ; Page/Page column 5 ;

140-67-0 ~% 532-11-6

文献：Justus Liebigs Annalen der Chemie, , vol. 557, p. 89,105

4180-23-8 ~% 532-11-6 77150-78-8

文献：Justus Liebigs Annalen der Chemie, , vol. 557, p. 89,105 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 224, p. 479

831-30-1 ~% 532-11-6

文献：Justus Liebigs Annalen der Chemie, , vol. 568, p. 227,237

50849-98-4 ~% 532-11-6

文献：Bulletin de la Societe Chimique de France, , p. 1398,1400

100-06-1 ~% 532-11-6

文献：Bulletin de la Societe Chimique de France, , p. 1398,1400

上下游产品

上游产品  8
104-46-1 4180-23-8 75-15-0 100-06-1
25679-28-1 140-67-0 831-30-1 50849-98-4
下游产品  7
18274-81-2 19652-13-2 100-63-0 1820-42-4
81385-69-5 13232-76-3 4280-58-4

制备

茴香脑与硫磺经环合而得。反应罐中加入茴香脑、二甲基甲酰胺，搅拌，投入硫磺粉。加热至146-150℃，保温反应1.5小时。反应结束，冷至80℃，减压回收二甲基甲酰胺，将反应物料冷至66℃，加入二甲苯活性炭，加热至108℃并保温半小时，然后趁热过滤。滤液冷至0℃，结晶，过滤，水洗得粗品。经二甲苯或乙酸丁酯精制后得茴三硫成品。收率为40%。

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 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:30.0%
申报要素	品名, 成分含量, 用途
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%