(3R,7R,10S,13R,16R,17S,18R)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone | 12663-46-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (3R,7R,10S,13R,16R,17S,18R)-17,18-dichloro-13-ethyl-3,10-bis(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
• CAS: 12663-46-6
• 化学式: C₂₄H₃₁Cl₂N₅O₇
• 分子量: 572.4
• InChiKey: PMBVHCCVEPYDSN-KXPAZRKESA-N

物化性质

• 熔点：
  255°C
• 沸点：
  249°C (rough estimate)
• 密度：
  1.5344 (rough estimate)
• 颜色/状态：
  WHITE NEEDLES FROM METHANOL
• 溶解度：
  SOL IN WATER & N-BUTANOL
• 旋光度：
  SPECIFIC OPTICAL ROTATION (ETHANOL): -92.9 DEG @ 16 °C/D; MAX ABSORPTION: 257 NM (LOG E= 9.81)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  177
• 氢给体数：
  6
• 氢受体数：
  7

ADMET

毒理性

• 致癌性证据

没有关于人类的数据。动物致癌性证据不足。总体评估：第3组：该物质对人类致癌性无法分类。

No data are available in humans. Inadequate evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

国际癌症研究机构致癌物：环氯素

IARC Carcinogenic Agent:Cyclochlorotine

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构（IARC）致癌物分类：第3组：无法归类其对人类致癌性

IARC Carcinogenic Classes:Group 3: Not classifiable as to its carcinogenicity to humans

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构专著：第10卷：（1976年）一些天然存在的物质

IARC Monographs:Volume 10: (1976) Some Naturally Occurring Substances

来源:International Agency for Research on Cancer (IARC)

毒理性

• 相互作用

微生物毒素环氯菌素（0.8毫克/千克，腹膜内注射，每周5天）连续50次给予小鼠后，通过电子显微镜观察到肝包膜下区域和肝小叶周边的纤维化。在门脉纤维化发展之前，观察到门脉周围的细胞损伤和门脉塌陷。当实验动物在整个实验期间同时喂养含有0.5%苯巴比妥的饮食时，与对照相比，包膜下区域的纤维化增强。在环氯菌素治疗停止后，纤维化的程度有所减少。

THE MICROBIAL TOXIN CYCLOCHLOROTINE (0.8 MG/KG, IP, 5 DAYS/WEEK) ADMINISTERED TO MICE 50 TIMES CAUSED LIVER FIBROSIS IN THE SUBCAPSULAR REGION AND THE PERIPHERY OF LIVER LOBULES AS DEMONSTRATED BY ELECTRON MICROSCOPY. THE PERILOBULAR CELL DAMAGE AND PERIPORTAL COLLAPSE WERE OBSERVED PRIOR TO DEVELOPMENT OF THE PERIPORTAL FIBROSIS. WHEN THE EXPERIMENTAL ANIMALS WERE CONCOMITANTLY FED A DIET CONTAINING 0.5% PHENOBARBITAL THROUGHOUT THE ENTIRE EXPERIMENTAL PERIOD, FIBROSIS IN THE SUBCAPSULAR REGION WAS ENHANCED COMPARED TO CONTROLS. AFTER CESSATION OF CYCLOCHLOROTINE TREATMENT, THE DEGREE OF FIBROSIS WAS REDUCED.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

口服放射性示踪剂氚标记的环氯嘧啶在动物体内迅速出现在肝脏中，剂量的73%通过尿液排出。

ORALLY ADMIN TRITIUM-LABELED CYCLOCHLOROTINE APPEARED RAPIDLY IN THE LIVER /OF ANIMALS/, & 73% OF THE DOSE WAS EXCRETED IN THE URINE.

来源:Hazardous Substances Data Bank (HSDB)

制备方法与用途

类别：有毒物质
毒性分级：剧毒
急性毒性：口服-大鼠 LD50: 5 毫克/公斤；口服-小鼠 LD50: 6.55 毫克/公斤
可燃性危险特性：可燃，燃烧时分解出有毒的氯化物和氮氧化物气体
储运特性：库房应保持低温、通风干燥，并与食品原料分开存放
灭火剂：水、二氧化碳、干粉、砂土