trans-1,4-Diacetamido-cyclohexan | 2077-92-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: trans-1,4-Diacetamido-cyclohexan
• 英文别名: trans-N.N'-Diacetyl-1.4-diamino-cyclohexan；trans-1.4-Bis--cyclohexan；N,N'-(trans-cyclohexane-1,4-diyl)-bis-acetamide; trans-1.4-bis-acetylamino-cyclohexane；N,N'-(trans-Cyclohexan-1,4-diyl)-bis-acetamid; trans-1.4-Bis-acetamino-cyclohexan；trans-1.4-Bis-acetamino-cyclohexan
• CAS: 2077-92-1
• 化学式: C₁₀H₁₈N₂O₂
• 分子量: 198.265
• InChiKey: TVILGUBKPIUIFC-MGCOHNPYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  58.2
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 trans-1,4-Diacetamido-cyclohexan
  参考文献：
  名称：

  Curtius, Journal fuer Praktische Chemie (Leipzig), 1915, vol. <2>91, p. 36

  摘要：

  DOI：

文献信息

• Organic Compounds
  申请人：Collingwood Stephen Paul

  公开号：US20080312217A1

  公开（公告）日：2008-12-18

  A Compound of formula (I) or tautomers, or stereoisomers, or solvates, or pharmaceutically acceptable salts thereof, wherein M 1 , M 1 , L 1 , L 2 , W 1 , W 2 , X 1 , X 2 , Y 1 , Y 2 , A, R 5 , and R 5a are as defined herein for the treatment of conditions mediated by the blockade of an epithelial sodium channel, particularly an inflammatory or allergic condition.

  化合物式（I）或其互变异构体、立体异构体、溶剂化物或药学上可接受的盐，其中M1、M1、L1、L2、W1、W2、X1、X2、Y1、Y2、A、R5和R5a的定义如本文所述，用于治疗由于阻断上皮钠通道介导的情况，特别是炎症或过敏症。
• Synthesis of analogs of N-(2-chloroethyl)-N'-(trans-4-methylcyclohexyl)-N-nitrosourea for evaluation as anticancer agents
  作者：Thomas P. Johnston、George S. McCaleb、Sarah D. Clayton、Jerry L. Frye、Charles A. Krauth、John A. Montgomery

  DOI：10.1021/jm00212a019

  日期：1977.2

  The superior activity of N-(2-chloroethyl)-N'-(trans-4-methylcyclohexyl)-N-nitrosourea (MeCCNU) against advanced murine Lewis lung carcinoma in comparisons with the cis form and other nitrosoureas prompted the synthesis of a number of MeCCNU analogues, including several cis-trans pairs. The methyl group was replaced by a variety of substituents (CO2H, CH2CO2H, CO2Me, CH2OAc, CH2Cl, OMe); the trans-3-methylcyclohexyl, cis-2-methyl-1,3-dithian-5-yl, cis- and trans-2-methyl-1,3-dithian-5-yl-tetraoxide, and 1-methylhexyl (open-chain) analogues were also prepared. Preliminary tests against murine leukemia L1210 revealed therapeutic indices (ED50/LD10) ranging from 0.26 to 0.79; all but three analogues effected 50% cure rates at nontoxic doses, the open-chain analogue being one of the least active. In terms of therapeutic index, diequatorial (trans-4) isomers were, with one exception, as active as or, in four of the eight examples, somewhat more active than the corresponding axial-equatorial (cis-4) isomers. In this series, four of the five 2-fluoroethyl analogues prepared were clearly inferior to the corresponding 2-chloroethyl analogues.
• US7803804B2
  申请人：——

  公开号：US7803804B2

  公开（公告）日：2010-09-28
• Curtius, Journal fuer Praktische Chemie (Leipzig), 1915, vol. <2>91, p. 36
  作者：Curtius

  DOI：——

  日期：——

表征谱图