1-(2-氯乙基)-3-(3-甲基环己基)-1-亚硝基脲 | 13991-72-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: 1-(2-氯乙基)-3-(3-甲基环己基)-1-亚硝基脲
• 英文名称: 1-(2-chloroethyl)-1-nitroso-3-(3-methylcyclohexyl)urea
• 英文别名: 1-(2-Chloroethyl)-3-(3-methylcyclohexyl)-1-nitrosourea
• CAS: 13991-72-5
• 化学式: C₁₀H₁₈ClN₃O₂
• 分子量: 247.725
• InChiKey: FFCHNDRHTRPWMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-甲基环己胺 在 甲酸 、 sodium nitrite 作用下， 以 氯仿 为溶剂， 反应 2.0h， 生成 1-(2-氯乙基)-3-(3-甲基环己基)-1-亚硝基脲
  参考文献：
  名称：

  潜在的抗癌药的合成。XXXVI。N-亚硝基脲。二。卤代烷基衍生物。

  摘要：

  DOI：

  10.1021/jm00324a026

文献信息

• Method for prevention or treatment of acute allograft rejection and a pharmaceutical composition therefor
  申请人：——

  公开号：US20020151601A1

  公开（公告）日：2002-10-17

  A method for treating an organ donor prior to harvesting organ to reduce graft rejection in a recipient. An amount effective to reduce graft rejection of at least one compound selected from the group consisting of compounds having formulas I, II, III, IV, V, VI, and VII is administered to the organ donor: 1 wherein Y is 2 X is F or Cl; R 1 is a straight or branched alkyl group having from 1 to 7 carbon atoms; R 2 is a straight or branched alkyl group having from 1 to 7 carbon atoms; R 3 is H or a straight or branched alkyl group having from 1 to 7 carbon atoms; Z is H, OH, or a straight or branched alkyl group including from 1 to 7 carbon atoms; and in Formula II, the OH groups may be substituted anywhere except where Y is present and are not on the same carbon atom; in Formula III, the OH group may be substituted anywhere except where Y is present; in Formula IV, the OH group may be substituted anywhere except where Y is present; in Formula V, Z may be substituted anywhere except at C-1, C-6, and C-4 if Z is OH; in Formula VI, Z may be substituted anywhere except at C-1, C-3, and C-5 if Z is OH; and in Formula VII, Z may be at C-1, C-2, and C-3 except not on C-1 if Z is OH.

  一种在摘取器官前治疗器官捐献者以减少受者移植物排斥反应的方法。向器官捐献者施用选自具有式 I、II、III、IV、V、VI 和 VII 的化合物组成的组中的至少一种化合物，其有效量可降低移植物排斥反应： 1 其中 Y 是 2 X 是 F 或 Cl R 1 是具有 1 至 7 个碳原子的直链或支链烷基； R 2 是具有 1 至 7 个碳原子的直链或支链烷基； R 3 是 H 或具有 1 至 7 个碳原子的直链或支链烷基； Z 是 H、OH 或含有 1 至 7 个碳原子的直链或支链烷基；以及 在式 II 中，OH 基团可在任何位置被取代，但 Y 存在且不在同一碳原子上的情况除外； 在式 III 中，除 Y 存在外，OH 基团可在任何位置被取代； 在式 IV 中，除 Y 存在外，OH 基团可在任何位置被取代； 在式 V 中，除 C-1、C-6 和 C-4 处（如果 Z 为 OH）外，Z 可在任何地方被取代； 在式 VI 中，若 Z 为 OH，则 Z 可被 C-1、C-3 和 C-5 以外的任何位置取代；以及 在式 VII 中，Z 可位于 C-1、C-2 和 C-3，但如果 Z 是 OH，则不能位于 C-1。
• USE OF A NITROSOUREA DERIVATIVE FOR PREVENTION OR TREATMENT OF ACUTE ALLOGRAFT REJECTION
  申请人：SOUTHERN RESEARCH INSTITUTE

  公开号：EP1140060A2

  公开（公告）日：2001-10-10
• US6503948B2
  申请人：——

  公开号：US6503948B2

  公开（公告）日：2003-01-07
• [EN] METHOD FOR PREVENTION OR TREATMENT OF ACUTE ALLOGRAFT REJECTION AND A PHARMACEUTICAL COMPOSITION THEREFOR<br/>[FR] METHODE DE PREVENTION OU DE TRAITEMENT DU REJET AIGU D'UNE ALLOGREFFE ET COMPOSITION PHARMACEUTIQUE ASSOCIEE
  申请人：SOUTHERN RES INST

  公开号：WO2000038668A2

  公开（公告）日：2000-07-06

  A method for treating an organ donor prior to harvesting organ to reduce graft rejection in a recipient. An amount effective to reduce graft rejection of at least one compound selected from the group consisting of compounds having formulae (I), (II), (III), (IV), (V), (VI), and (VII) is administered to the organ donor, wherein Y is (a); X is F or Cl; R1 is a straight or branched alkyl group having from 1 to 7 carbon atoms; R2 is a straight or branched alkyl group having from 1 to 7 carbon atoms; R3 is H or a straight or branched alkyl group having from 1 to 7 carbon atoms; Z is H, OH, or a straight or branched alkyl group including from 1 to 7 carbon atoms; and in Formula (II), the OH groups may be substituted anywhere except where Y is present and are not on the same carbon atom; in Formula (III), the OH group may be substituted anywhere except where Y is present; in Formula (IV), the OH group may be substituted anywhere except where Y is present; in Formula (V), Z may be substituted anywhere except at C-1, C-6, and C-4 if Z is OH; in Formula (VI), Z may be substituted anywhere except at C-1, C-3, and C-5 if Z is OH; and in Formula (VII), Z may be at C-1, C-2, and C-3 except not on C-1 if Z is OH.
• The Synthesis of Potential Anticancer Agents. XXXVI. N-Nitrosoureas.¹ II. Haloalkyl Derivatives
  作者：Thomas P. Johnston、George S. McCaleb、Pamela S. Opliger、John A. Montgomery

  DOI：10.1021/jm00324a026

  日期：1966.11