cis-1-tert-butoxycarbonylamino-4-(5-cyano-2-pyridylthio)cyclo-hexane | 412357-60-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: cis-1-tert-butoxycarbonylamino-4-(5-cyano-2-pyridylthio)cyclo-hexane
• CAS: 412357-60-9
• 化学式: C₁₇H₂₃N₃O₂S
• 分子量: 333.455
• InChiKey: MUXHGTZWFXJBGS-OKILXGFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  75.01
• 氢给体数：
  1.0
• 氢受体数：
  5.0

文献信息

• Nitrogenous five-membered ring compounds
  申请人：Yasuda Kosuke

  公开号：US20050054678A1

  公开（公告）日：2005-03-10

  The present invention is to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]: wherein symbols in the formula have the following meanings; A: —CH 2 — or —S—, B: CH or N, R 1 : H, a lower alkyl group, etc., X: a single bonding arm, —CO—, -Alk-CO—, —COCH 2 —, -Alk-O—, —O—CH 2 —, —SO 2 —, —S—, —COO—, —CON(R 3 )—, -Alk-CON(R 3 )—, —CON(R 3 )CH 2 —, —NHCH 2 —, etc., R 3 : hydrogen atom or a lower alkyl group, Alk: a lower alkylene group, and R 2 : (1) a cyclic group which may be substituted, (2) a substituted amino group, etc., provided that when X is —CO—, then B is N, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种脂肪族含氮5元环化合物，其化学式为[I]，其中式中符号的含义如下：A：—CH2—或—S—，B：CH或N，R1：H、低碳基等，X：单键臂，—CO—、-Alk-CO—、—CO —、-Alk-O—、—O— —、—SO2—、—S—、—COO—、—CON(R3)—、-Alk-CON(R3)—、—CON(R3) —、—NH —等，R3：氢原子或低碳基，Alk：低碳亚基，R2：(1)可能被取代的环状基团，(2)取代的氨基团等，但当X是—CO—时，B为N，或其药学上可接受的盐。
• Nitrogen-containing 5-membered ring compound
  申请人：Yasuda Kosuke

  公开号：US20060241146A1

  公开（公告）日：2006-10-26

  The present invention is to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]: wherein symbols in the formula have the following meanings; A: —CH 2 — or —S—, B: CH or N, R 1 H, a lower alkyl group, etc., X: a single bonding arm, —CO—, —Alk—CO—, —COCH 2 —, —Alk—O—, —O—CH 2 —, —SO 2 —, —S—, —COO—, —CON(R 3 )—, —Alk—CON(R 3 )—, —CON(R 3 )CH 2 —, —NHCH 2 —, etc., R 3 : hydrogen atom or a lower alkyl group, Alk: a lower alkylene group,,and. R 2 : (1) a cyclic group which may be substituted, (2) a substituted amino group, etc., provided that when X is —CO—, then B is N, or a pharmaceutically acceptable salt thereof.

  本发明提供一种脂肪族含氮5元环化合物，其化学式表示为[I]，其中式中符号的含义如下：A：—CH2—或—S—，B：CH或N，R1：H、低碳烷基等，X：单键臂、—CO—、—Alk—CO—、—CO —、—Alk—O—、—O— —、—SO2—、—S—、—COO—、—CON(R3)—、—Alk—CON(R3)—、—CON(R3) —、—NH —等，R3：氢原子或低碳烷基，Alk：低碳烷基，R2：（1）可取代的环状基团，（2）取代的氨基基团等，但当X为—CO—时，B为N，或其药学上可接受的盐。
• NITROGENOUS FIVE-MEMBERED RING COMPOUNDS
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1323710B1

  公开（公告）日：2008-09-10
• US7138397B2
  申请人：——

  公开号：US7138397B2

  公开（公告）日：2006-11-21
• US7332487B2
  申请人：——

  公开号：US7332487B2

  公开（公告）日：2008-02-19