N-[2-(Dimethylamino)ethyl]-4-[(3S)-3-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-1-pyrrolidinyl]benzenesulfonamide | 870966-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: N-[2-(Dimethylamino)ethyl]-4-[(3S)-3-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-1-pyrrolidinyl]benzenesulfonamide
• 英文别名: N-[2-(dimethylamino)ethyl]-4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzenesulfonamide
• CAS: 870966-19-1
• 化学式: C₂₆H₃₄N₄O₂S
• 分子量: 466.6
• InChiKey: NIBNVKBNBRPMHY-IRLDBZIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  73.1
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：US20130150374A1

  公开（公告）日：2013-06-13

  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 1 —; 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）的用途，含有上述化合物作为有效成分的制药组合物等。式中符号表示以下含义：Ar：可选取取代芳基或可选取取代杂环芳基；此处，杂环的环状部分是一个二环杂环环，其中包含1或2个杂原子的5-6元单环杂环和苯环融合在一起；R1：选自以下群组的群组，即可选取取代的环烃基团和可选取取代的杂环基团；n：1至3的整数；X：单键臂，-CH2-，-CO-，-（CH2）m-CO-，-CH（R2）-CO-，-（CH2）p-Y-（C（R3）（R4））q-CO-，-NH-CO-或-N（R5）-CO-；在上述各定义中，左端所描述的键合臂表示与R1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-SO1-；R2：苯基或低碳基；R3，R4：各自独立地表示氢原子或低碳基；R5：低碳基；前提是所述R1所表示的基的环状部分既不是萘亚甲基基团，也不是其部分饱和基团，且当X为-CH2-或-CO-时，R1不是萘基。
• US8362274B2
  申请人：——

  公开号：US8362274B2

  公开（公告）日：2013-01-29
• US8759387B2
  申请人：——

  公开号：US8759387B2

  公开（公告）日：2014-06-24