2-Benzylthiomorpholine | 1354950-27-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: 2-Benzylthiomorpholine
• CAS: 1354950-27-8
• 化学式: C₁₁H₁₅NS
• mdl: MFCD20441538
• 分子量: 193.31
• InChiKey: IIMUARVOSAPLDJ-UHFFFAOYSA-N

物化性质

• 沸点：
  315.7±17.0 °C(Predicted)
• 密度：
  1.072±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Arylalkylamine Compound and Process for Preparing the Same
  申请人：Miyazaki Hiroshi

  公开号：US20070225296A1

  公开（公告）日：2007-09-27

  The present invention relates to an arylalkylamine compound represented by the following formula [I] or a pharmaceutically acceptable salt thereof, a process for preparing the same, and use of the above-mentioned compound as an activating compound (CaSR agonist) of a Ca sensing receptor, a pharmaceutical composition containing the above-mentioned compound as an effective ingredient, etc. The symbols in the formula represent the following meanings: Ar: optionally substituted aryl or optionally substituted heteroaryl here, the cyclic portion of the heteroaryl is bicyclic heterocyclic ring in which 5- to 6-membered monocyclic heterocyclic ring containing 1 or 2 hetero atom(s) and benzene ring are fused; R 1 : a group selected from the group consisting of optionally substituted cyclic hydrocarbon group, and optionally substituted heterocyclic group; n: an integer of 1 to 3; X: single bonding arm, —CH 2 —, —CO—, —(CH 2 ) m —CO—, —CH(R 2 )—CO—, —(CH 2 ) p —Y—(C(R 3 )(R 4 )) q —CO—, —NH—CO— or —N(R 5 )—CO—; in the above-mentioned respective definitions of the X, the bonding arm described at the left end represents a bond with R 1 ; m is an integer of 1 to 3; p is an integer of 0 to 2; q is an integer of 0 to 2; Y: —O— or —SO 2 —; R 2 : phenyl or lower alkyl; R 3 , R 4 : each independently represents hydrogen atom or lower alkyl; R 5 : lower alkyl; provided that the ring portion of the group represented by R 1 is neither naphthylidine nor partially saturated group thereof, and, when X is —CH 2 — or —CO—, R 1 is not naphthyl.

  本发明涉及一种由以下公式[I]表示的芳基烷基胺化合物或其药学上可接受的盐，其制备方法，以及上述化合物作为钙感受受体的激活化合物（CaSR激动剂），以及含有上述化合物作为有效成分的制药组合物等的用途。公式中的符号表示以下含义：Ar：此处为可选取代的芳基或可选取代的杂环芳基，其中杂环的环部分是一个含有1或2个杂原子的5-至6元单环杂环，与苯环融合；R1：选自可选取代的环烃基团和可选取代的杂环基团的群；n：1至3的整数；X：单键臂、—CH2—、—CO—、—（ ）m—CO—、—CH（R2）—CO—、—（ ）p—Y—（C（R3）（R4））q—CO—、—NH—CO—或—N（R5）—CO—；在上述各定义的X中，左端所描述的键臂表示与R1的键；m为1至3的整数；p为0至2的整数；q为0至2的整数；Y：—O—或—SO2—；R2：苯基或低碳烷基；R3、R4：各自独立地表示氢原子或低碳烷基；R5：低碳烷基；前提是由R1表示的基团的环部分既不是萘亚甲基也不是其部分饱和基团，且当X为— —或—CO—时，R1不是萘基。
• ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME
  申请人：MIYAZAKI Hiroshi

  公开号：US20100249049A1

  公开（公告）日：2010-09-30

  The present invention relates to an arylalkylamine compound represented by the following formula [I] or a pharmaceutically acceptable salt thereof, a process for preparing the same, and use of the above-mentioned compound as an activating compound (CaSR agonist) of a Ca sensing receptor, a pharmaceutical composition containing the above-mentioned compound as an effective ingredient, etc. The symbols in the formula represent the following meanings: Ar: optionally substituted aryl or optionally substituted heteroaryl here, the cyclic portion of the heteroaryl is bicyclic heterocyclic ring in which 5- to 6-membered monocyclic heterocyclic ring containing 1 or 2 hetero atom(s) and benzene ring are fused; R 1 : a group selected from the group consisting of optionally substituted cyclic hydrocarbon group, and optionally substituted heterocyclic group; n: an integer of 1 to 3; X: single bonding arm, —CH 2 —, —CO—, —(CH 2 ) m —CO—, —CH(R 2 )—CO—, —(CH 2 ) p —Y—(C(R 3 )(R 4 )) q —CO—, —NH—CO— or —N(R 5 )—CO—; in the above-mentioned respective definitions of the X, the bonding arm described at the left end represents a bond with R 1 ; m is an integer of 1 to 3; p is an integer of 0 to 2; q is an integer of 0 to 2; Y: —O— or —SO 2 —; R 2 : phenyl or lower alkyl; R 3 , R 4 : each independently represents hydrogen atom or lower alkyl; R 5 : lower alkyl; provided that the ring portion of the group represented by R 1 is neither naphthylidine nor partially saturated group thereof, and, when X is —CH 2 — or —CO—, R 1 is not naphthyl.

  本发明涉及一种由下式[I]表示的芳基烷基胺化合物或其药学上可接受的盐，制备该化合物的方法，以及上述化合物作为钙感受受体（CaSR激动剂）的激活化合物、包含上述化合物作为有效成分的药物组合物等的用途。式中符号表示以下含义：Ar：可选取的取代芳基或可选取的取代杂环芳基，在此，所述杂环的环状部分是由1或2个杂原子的5-6元单环杂环与苯环融合而成的双环杂环；R1：选自可选取的取代环烃基团和可选取的取代杂环基团的群；n：为1至3的整数；X：单键连接臂，-CH2-，-CO-，-( )m-CO-，-CH(R2)-CO-，-( )p-Y-(C(R3)(R4))q-CO-，-NH-CO-或-N(R5)-CO-；在上述X的各自定义中，左端所述连接臂表示与R1的键合；m为1至3的整数；p为0至2的整数；q为0至2的整数；Y：-O-或-SO2-；R2：苯基或低碳烷基；R3，R4：各自独立地表示氢原子或低碳烷基；R5：低碳烷基；所述R1表示的基的环部分既不是萘亚甲基基团，也不是其部分饱和基团，当X为- -或-CO-时，R1不是萘基。
• ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1757582B1

  公开（公告）日：2015-12-30
• QUARTÄRE-AMINOFUNKTIONELLE, SILICIUMORGANISCHE VERBINDUNGEN ENTHALTENDE ZUSAMMENSETZUNG SOWIE DEREN HERSTELLUNG UND VERWENDUNG
  申请人：Evonik Degussa GmbH

  公开号：EP2421874A1

  公开（公告）日：2012-02-29
• US4016263A
  申请人：——

  公开号：US4016263A

  公开（公告）日：1977-04-05