100-33-4

• 常用中文名：喷他脒
• 常用英文名：Pentamidine
• CAS号：100-33-4
• 分子式：C₁₉H₂₄N₄O₂
• 分子量：340.419
• 相关类别： 原料药 抗寄生虫病药 抗丝虫病及抗利什曼原虫病药
• 发布时间：2018-02-04 08:00:00
• 更新时间：2026-07-03 21:17:40
• Pentamidine(MP-601205)是抗生素。
• 本品作用机制尚不够清楚，可能干扰核苷酸生物合成和DNA的复制，也可干扰叶酸盐的转换。

名称

• 中文名: 喷他脒
• 英文名: pentamidine
• 中文别名: 喷他脒碱; 4,4'-(戊烷-1,5-二基双(氧基))二苯脒; 羟乙磺胺戊烷脒; 4,4'-二脒基二苯氧基戊烷; 4,4'-(戊烷-1,5-二基双(氧基))二苯甲脒
• 英文别名: PENTAMIDINE; 4-[5-(4-cbamimidoylphenoxy)pentoxy]benzenecboximidamide; Pentamidine //BP; 4,4’-(1,5-pentanediylbis(oxy))bis-benzenecboximidamid; 4,4’-diamidinodiphenoxypentane; p,p’-(pentamethylenedioxy)dibenzamidine; 4,4'-(1,5-Pentanediylbisoxy)dibenzamidine; 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide; 4,4’-(pentamethylenedioxy)dibenzamidine; 4,4'-(Pentane-1,5-diyldioxy)bis(benzenecboxamidine); 4,4'-[Pentamethylenebis(oxy)]bis(benzamidine); 4-[5-(4-amidinophenoxy)pentoxy]benzamidine; 4,4'-[1,5-PENTANEDIYLBIS(OXY)]BIS-BENZENECBOXIMIDAMIDE; Benzenecboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis; 4,4’-diamidino-alpha,omega-diphenoxypentane; Pentamidine DISCONTINUED, offer P272501; p,p’-(pentamethylene-dioxy)bis-benzamidine; 4,4’-(pentamethylenedioxy)di-benzamidin; 3-(1,3-Benzothiazol-2-yl)-7-diethylaminochromen-2-one; Pentamidine（MP-601205）; 4,4'-[Pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide; 4,4'-[1,5-Pentanediylbis(oxy)]bisbenzamidine; 4,4'-(Pentane-1,5-diylbisoxy)bisbenzamidine; EINECS 202-841-0; 4,4'-[1,5-Pentanediylbis(oxy)]dibenzenecarboximidamide

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 539.4±60.0 °C at 760 mmHg
• 熔点: 186ºC (dec.)
• 分子式: C₁₉H₂₄N₄O₂
• 分子量: 340.419
• 闪点: 280.0±32.9 °C
• 精确质量: 340.189911
• PSA: 118.20000
• LogP: 2.47
• 外观性状: 橙色固体
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.593
• 储存条件: -20°C Freezer, Under Inert Atmosphere
• 分子结构:

  1、 摩尔折射率：95.45

  2、 摩尔体积（cm³/mol）：95.45

  3、 等张比容（90.2K）：745.3

  4、 表面张力（dyne/cm）：745.3

  5、 极化率（10-24cm3）：37.83

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.6

  2.氢键供体数量:4

  3.氢键受体数量:4

  4.可旋转化学键数量:10

  5.互变异构体数量:无

  6.拓扑分子极性表面积118

  7.重原子数量:25

  8.表面电荷:0

  9.复杂度:376

  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.熔点（℃）：186。

生物活性

• 描述: Pentamidine(MP-601205)是抗生素。
• 相关类别:
  信号通路 >> 抗感染 >> 寄生物
  研究领域 >> 感染
• 参考文献:

  [1]. Nguewa, P.A., et al., Pentamidine is an antiparasitic and apoptotic drug that selectively modifies ubiquitin. Chem Biodivers, 2005. 2(10): p. 1387-400.

  [2]. Pathak, M.K., et al., Pentamidine is an inhibitor of PRL phosphatases with anticancer activity. Mol Cancer Ther, 2002. 1(14): p. 1255-64.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : CV6475000 CHEMICAL NAME : Benzamidine, 4,4'-(pentamethylenedioxy)di- CAS REGISTRY NUMBER : 100-33-4 BEILSTEIN REFERENCE NO. : 3159790 LAST UPDATED : 199612 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C19-H24-N4-O2 MOLECULAR WEIGHT : 340.47 WISWESSER LINE NOTATION : MUYZR DO5OR DYZUM HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Human - man DOSE/DURATION : 28 mg/kg/1W-I TOXIC EFFECTS : Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Nutritional and Gross Metabolic - body temperature increase REFERENCE : AIMDAP Archives of Internal Medicine. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1908- Volume(issue)/page/year: 145,2247,1985 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Human - man DOSE/DURATION : 4 mg/kg/3D TOXIC EFFECTS : Behavioral - general anesthetic Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature increase REFERENCE : LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 246,338,1944 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Human - woman DOSE/DURATION : 4 mg/kg TOXIC EFFECTS : Endocrine - hypoglycemia REFERENCE : AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 99,128,1983 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 50 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,794,1975 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BSCFAS Bulletin de la Societe Chimique de France. (CDR-Centrale des Revues, 11, rue Gossin, F-92543 Montrouge Cedex, France) V.1- 1864- Volume(issue)/page/year: -,376,1968

安全

• 危害码 (欧洲): Xi
• 危险品运输编码: UN 3249
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2925290090

合成路线

111-24-0 ~% 100-33-4

文献：Journal of Medicinal Chemistry, , vol. 33, # 4 p. 1252 - 1257

7467-71-2 ~% 100-33-4

文献：Journal of Medicinal Chemistry, , vol. 33, # 4 p. 1252 - 1257

767-00-0 ~% 100-33-4

文献：Journal of Medicinal Chemistry, , vol. 33, # 4 p. 1252 - 1257

上下游产品

上游产品  3
111-24-0 7467-71-2 767-00-0
下游产品  0

海关

海关编码	2925290090
中文概述	2925290090 其他亚胺及其衍生物，以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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	2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%