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丙丁酚

丙丁酚用途

Probucol能抗血脂过多,能通过增加LDL的代谢率降低血液中的胆固醇水平。

丙丁酚名称

[ CAS 号 ]:
23288-49-5

[ 中文名 ]:
普罗布考

[ 英文名 ]:
Probucol

[中文别名 ]:

丙丁酚

[英文别名 ]:

Biphenabid
Lursell
EINECS 245-560-9
Probucol
Bisbid
[14C]-Probucol
Panavir
Sinlestal
Lurselle
Probucolum

丙丁酚生物活性

[ 描述 ]:

Probucol能抗血脂过多,能通过增加LDL的代谢率降低血液中的胆固醇水平。

[ 相关类别 ]:

信号通路 >> 其他 >> 其他

研究领域 >> 代谢疾病

天然产物 >> 酚类

[参考文献]

[1]. Probucol

[相关活性小分子]

丙丁酚物理化学性质

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
546.7±50.0 °C at 760 mmHg

[ 熔点 ]:
117 118ºC

[ 分子式 ]:
C₃₁H₄₈O₂S₂

[ 分子量 ]:
516.842

[ 闪点 ]:
264.9±28.8 °C

[ 精确质量 ]:
516.309570

[ PSA ]:
91.06000

[ LogP ]:
10.27

[ 外观性状 ]:
白色固体

[ 蒸汽压 ]:
0.0±1.5 mmHg at 25°C

[ 折射率 ]:
1.574

[ 储存条件 ]:
Desiccate at +4°C

[ 水溶解性 ]:
水溶性：不溶；可溶于：丙酮,四氢呋喃,甲醇

丙丁酚MSDS

详细MSDS(安全技术说明书)

丙丁酚毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AL3705000

CHEMICAL NAME :: Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole

CAS REGISTRY NUMBER :: 23288-49-5

LAST UPDATED :: 199712

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C31-H48-O2-S2

MOLECULAR WEIGHT :: 516.91

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 3650 mg/kg/1Y-I

TOXIC EFFECTS :: Behavioral - general anesthetic Cardiac - cardiomegaly Cardiac - pulse rate increase, without fall in BP

REFERENCE :: NEJMAG New England Journal of Medicine. (Massachusetts Medical Soc., 10 Shattuck St., Boston, MA 02115) V.198- 1928- Volume(issue)/page/year: 326,1435,1992

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 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: -,1042,1990

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >5 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: -,1042,1990

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >800 mg/kg

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

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 40,833,1985

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 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: -,1042,1990

丙丁酚安全信息

[ 个人防护装备 ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ 安全声明 (欧洲) ]:
S23-S24/25

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
3

[ RTECS号 ]:
AL3705000

[ 海关编码 ]:
29093090

丙丁酚合成路线

详细合成路线

丙丁酚上下游产品

丙丁酚上游产品

丙丁酚下游产品

丙丁酚制备

47.5g(0.2mo1)2，6-二叔丁基-4-巯基苯酚溶于50ml甲醇，加热至50℃，加入催化量的浓盐酸(1ml)，然后加入5.8g(0.1mo1)丙酮。反应温度升至60℃，并在60~65℃反应1.5h。冷却，用水和约10ml碳酸氢钠水溶液稀释，然后用乙醚萃取。浓缩萃取液，剩余物先后用乙醇和异丙醇重结晶，得普罗布考，熔点125～126℃。

制备中所用的2，6-二叔丁基-4-巯基苯酚可以2，6-二叔丁基苯酚为原料，经和硫磺或氯化硫反应，得到多硫化物后，再经还原而得。

也可由2，6-二叔丁基苯酚经如下反应直接得到2，6-二叔丁基-4-巯基苯酚。

丙丁酚海关

[ 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%

丙丁酚文献

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

Developing structure-activity relationships for the prediction of hepatotoxicity.

Chem. Res. Toxicol. 23 , 1215-22, (2010)

Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...

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丙丁酚