potassium cyclohexylsulfamate | 7758-04-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 氨基磺酸衍生物
• 英文名称: potassium cyclohexylsulfamate
• 英文别名: potassium cyclamate；potassium;N-cyclohexylsulfamate
• CAS: 7758-04-5
• 化学式: C₆H₁₂NO₃S*K
• 分子量: 217.33
• InChiKey: PALPTWOXTUVPKA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.63
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  77.6
• 氢给体数：
  1
• 氢受体数：
  4

ADMET

代谢

在大鼠体内的生物转化...是由肠道微生物群引起的。当长期给予环己烷酸时，人类和动物体内的肠道微生物群获得了将环己烷酸代谢为环己胺的能力。/环己烷酸/

...BIOTRANSFORMATION IN RATS...IS BROUGHT ABOUT BY GUT MICROFLORA. ...GUT MICROFLORA IN MAN & IN ANIMALS ACQUIRE CAPACITY TO METABOLIZE CYCLAMATE INTO CYCLOHEXYLAMINE, WHEN CYCLAMATE IS ADMIN CHRONICALLY. /CYCLAMATE/

来源:Hazardous Substances Data Bank (HSDB)

代谢

肠道微生物，成为环己烷磺酸盐“转化者”的是大鼠的梭菌、兔子的肠杆菌和人类的肠球菌。/环己烷磺酸盐/

GUT MICRO-ORGANISMS, WHICH BECOME CYCLAMATE "CONVERTERS" ARE CLOSTRIDIA IN RATS, ENTEROBACTERIA IN RABBITS, & ENTEROCOCCI IN MAN. /CYCLAMATE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

人类受试者连续几周每天摄入了5到12克的物质；唯一注意到的效果是粪便变得粘稠。并非所有受试者都增加了排便频率，但在某些人中，泻药作用可能是由于未吸收的环己烷磺酸钠导致渗透性流体保留。/环己烷磺酸钠/

HUMAN SUBJECTS HAVE CONSUMED 5 TO 12 G/DAY FOR SEVERAL WEEKS; THE ONLY NOTED EFFECT WAS A CHANGE IN STOOLS TO A MUSHY CONSISTENCY. NOT ALL SUBJECTS HAD INCREASED FREQUENCY OF BOWEL MOVEMENTS, BUT IN SOME, CATHARTIC ACTION MAY BE DUE TO OSMOTIC FLUID RETENTION BY UNABSORBED CYCLAMATE. /SODIUM CYCLAMATE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

3点描述了长期摄入异常高量的环己烷磺酸钠甜味剂后发展的膀胱移行细胞癌，病情的严重程度与摄入剂量成正比。

3 PT DESCRIBED DEVELOPED VESICAL CARCINOMA OF BLADDER AFTER PROLONGED PERIOD OF INGESTION OF UNUSUALLY HIGH AMT OF CYCLAMATE SWEETNER, SEVERITY APPEARED IN PROPORTION TO DOSE INGESTED.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

糖精、环己烷磺酸钠与人类膀胱癌之间缺乏关联性被讨论。/有争议的/

THE LACK OF ASSOCIATION BETWEEN SACCHARIN, CYCLAMATE, & HUMAN BLADDER CANCER IS DISCUSSED. /PRC- CONTROVERSIAL/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 人类毒性摘录

在活体内，环己烷磺酸盐会转化为环己胺，后者本身或经过生物转化后可能提供一种最终的致癌物质。/环己烷磺酸盐/

IN VIVO, CYCLAMATE IS CONVERTED INTO CYCLOHEXYLAMINE WHICH PER SE OR AFTER BIOTRANSFORMATION MAY PROVIDE AN ULTIMATE CARCINOGEN. /CYCLAMATE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

口服急性剂量在10-17克/千克的小鼠中/...仅显示肠液积聚和轻微心脏扩张，死亡发生在1到24小时内。静脉注射4-5克/千克可迅速导致死亡，显然是因为呼吸衰竭。在大剂量口服后，狗和猫会发生呕吐。/环己烷酸钠/

/ACUTE ORAL DOSES 10-17 G/KG IN MICE/...SHOW ONLY INTESTINAL FLUID ACCUMULATION & SLIGHT CARDIAC DISTENSION WITH DEATH OCCURRING IN 1 TO 24 HR. IV ADMIN OF 4-5 G/KG PRODUCES RAPID EXITUS APPARENTLY IN RESPIRATORY FAILURE. VOMITING OCCURS IN DOGS & CATS AFTER LARGE ORAL DOSES. /SODIUM CYCLAMATE/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

肠道中形成的环己基胺几乎完全被吸收并通过尿液排出，相比之下，环己烷磺酸钠的吸收率仅为20-40%。/环己烷磺酸钠/

...CYCLOHEXYLAMINE FORMED IN INTESTINE IS ALMOST COMPLETELY ABSORBED & EXCRETED IN URINE, IN COMPARISON TO CYCLAMATE, WHICH IS ABSORBED TO AN EXTENT OF ONLY 20-40%. /CYCLAMATE/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

环己烷磺酸钠（14C-CYCLAMATE）通过静脉给药给进行治疗性流产的妇女，在妊娠早期通过腹部子宫切除术穿过胎盘并在胎儿组织中分散，尤其是在肝脏、脾脏、胰腺和肾脏中。母体血液中的水平迅速下降，表明环己烷磺酸钠被非常迅速地消除。

...(14)C-CYCLAMATE, GIVEN IV TO WOMEN UNDERGOING THERAPEUTIC ABORTION, BY ABDOMINAL HYSTERECTOMY DURING EARLY PREGNANCY, CROSSED PLACENTA & DISPERSED IN FETAL TISSUES, PARTICULARLY IN LIVER, SPLEEN, PANCREAS, & KIDNEYS. ...MATERNAL BLOOD LEVELS...FELL RAPIDLY...INDICATING VERY RAPID ELIMINATION... /CYCLAMATE/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

环己基胺的最大日排泄量...占日摄入量的0.1%至0.9%（5克）；环己基胺的尿排泄量不稳定，在停止给药后3-4天内持续排出。/环己烷磺酸盐/

MAX DAILY EXCRETION OF CYCLOHEXYLAMINE...RANGED FROM 0.1 TO 0.9% OF DAILY CYCLAMATE INTAKE (5 G); URINARY OUTPUT OF CYCLOHEXYLAMINE WAS ERRATIC & CONTINUED FOR 3-4 DAYS AFTER ADMIN HAD CEASED. /CYCLAMATE/

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为产物：
  描述：

  Cyclohexyl-sulfamic acid 2-hydroxy-phenyl ester 在 氢氧化钾 作用下， 以 水 为溶剂， 反应 1.0h， 以99%的产率得到potassium cyclohexylsulfamate
  参考文献：
  名称：

  Sulfonylamine-mediated sulfamation of amines. A mild, high yield synthesis of sulfamic acid salts

  摘要：

  DOI：

  10.1021/jo01314a033

文献信息

• Process for bleaching keratin fibers
  申请人：Javet Manuela

  公开号：US20070231283A1

  公开（公告）日：2007-10-04

  The present patent application relates to a process for bleaching keratin fibers which is characterized by applying to the fiber a ready-to-use agent having a basic pH and containing: a) at least one bleach booster according to the general formula (I) wherein R1 is a hydrogen, R2 is hydrogen, a substituted or unsubstituted C1- to C12-alkyl group, a substituted or unsubstituted C1- to C12-monohydroxy-alkyl group, a substituted or unsubstituted C2- to C12-polyhydroxy alkyl group, or a substituted saturated, unsaturated or aromatic 4- to 8-membered carbocycle or heterocycle, and R3 is a OR-Group, with R being equal to hydrogen, an ammonium group, or an alkali metal, or an earth alkali metal atom; b) at least one appropriate type-2 bleach-stable direct dye; and c) at least one oxidant, and after an exposure time of 5 to 60 minutes at a temperature of 10 to 70° C. rinsing the fiber with water as well as the use of special type-2 bleach-stable direct dyes for acquiring a natural looking bleaching of keratin fibers, particularly human hair, without undesired undertones.

  本专利申请涉及一种漂白角蛋白纤维的方法，其特征在于将具有碱性pH值的即用型剂涂覆于纤维上，该剂含有：a）至少一种漂白增强剂，其一般式为（I），其中R1为氢，R2为氢、取代或未取代的C1-C12烷基、取代或未取代的C1-C12单羟基烷基、取代或未取代的C2-C12多羟基烷基或取代的饱和、不饱和或芳香4-8成员碳环或杂环，R3为OR-基团，其中R等于氢、铵基或碱金属或碱土金属原子；b）至少一种适当的2型漂白稳定直接染料；以及c）至少一种氧化剂，经过5至60分钟的暴露时间，在10至70℃的温度下，用水冲洗纤维，以及使用特殊的2型漂白稳定直接染料，以获得天然外观的角蛋白纤维漂白，特别是人类头发，无不良底色。
• Agent for simultaneous lightening and coloring of keratin fibres containing a sulfamate bleach booster
  申请人：Wella Aktiengesellschaft

  公开号：EP1759685A1

  公开（公告）日：2007-03-07

  The present patent application relates to a ready-to-use agent for simultaneously lightening and dyeing keratin fibers (especially human hair), having a basic pH and being characterized by containing a) at least one bleach booster according to the general formula (I) wherein R1 is a hydrogen, R2 is hydrogen, a substituted or unsubstituted C1- to C12-alkyl group, a substituted or unsubstituted C1- to C12-monohydroxy-alkyl group, a substituted or unsubstituted C2- to C12-polyhydroxy alkyl group, or a substituted saturated, unsaturated or aromatic 4- to 8-membered carbocycle or heterocycle, and R3 is a OR-Group, with R being equal to hydrogen, an ammonium group or an alkali metal or an earth alkali metal atom; and b) at least one direct dye and/or at least one oxidation dye/dye precursor and c) at least one oxidant; a multi-component-kit and a method for simultaneous lightening and coloring hair.

  本专利申请涉及一种即用型药剂，用于同时对角蛋白纤维（尤其是人类头发）进行淡化和染色，该药剂具有碱性 pH 值，其特征在于含有 a) 至少一种符合通式（I）的漂白增效剂； b) 至少一种符合通式（II）的漂白增效剂； c) 至少一种符合通式（I）的漂白增效剂。 其中 R1 是氢；R2 是氢、取代或未取代的 C1 至 C12 烷基、取代或未取代的 C1 至 C12 单羟基烷基、取代或未取代的 C2- 至 C12 多羟基烷基或取代的饱和、不饱和或芳香的 4 至 8 元碳环或杂环；R3 是 OR 基团，其中 R 等于氢、铵基团或碱金属或土碱金属原子；以及 b) 至少一种直接染料和/或至少一种氧化染料/染料前体；以及 c) 至少一种氧化剂； 一种多组分套件和一种同时美白和染发的方法。
• DUBOIS G. E.; STEPHENSON R. A., J. ORG. CHEM., 1980, 45, NO 26, 5371-5373
  作者：DUBOIS G. E.、 STEPHENSON R. A.

  DOI：——

  日期：——
• AGENT FOR SIMULTANEOUS LIGHTENING AND COLORING OF KERATIN FIBRES CONTAINING A SULFAMATE BLEACH BOOSTER
  申请人：The Procter and Gamble Company

  公开号：EP1919440A2

  公开（公告）日：2008-05-14
• PROCESS FOR BLEACHING KERATIN FIBERS
  申请人：The Procter and Gamble Company

  公开号：EP1919439A2

  公开（公告）日：2008-05-14