1-(2,3-dihydro-1H-inden-2-yl)guanidine | 62658-42-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 1-(2,3-dihydro-1H-inden-2-yl)guanidine
• 英文别名: 2-(2,3-dihydro-1H-inden-2-yl)guanidine
• CAS: 62658-42-8
• 化学式: C₁₀H₁₃N₃
• mdl: MFCD00598677
• 分子量: 175.233
• InChiKey: DKESMSIFJDXVCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-茚酮肟 生成 1-(2,3-dihydro-1H-inden-2-yl)guanidine
  参考文献：
  名称：

  Conformational analogs of antihypertensive agents related to guanethidine

  摘要：

  In an effort to clarify the conformational requirements, if any, of agents producing adrenergic neuronal blockade through mechanisms similar to guanethidine, the synthesis and pharmacological evaluation of 15 analogues of cinnamylguanidine are described. These analogues represent derivatives in which the distance between the center of the ring system and the guanidinium nitrogen atom varies from 3.9 to 6.2 A. While conformational relationships could not be defined in this study, three analogues (3, 4, and 5) were apparently more potent than guanethidine in the in vitro assay employed.

  DOI：

  10.1021/jm00216a007

文献信息

• [EN] GUANIDINE COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS DE GUANIDINE ET LEUR UTILISATION
  申请人：HANALL BIOPHARMA CO LTD

  公开号：WO2015160220A1

  公开（公告）日：2015-10-22

  The present invention relates to guanidine compounds for inhibiting mitochondrial oxidative phosphorylation (OXPHOS) and use thereof. More specifically, the present invention relates to a pharmaceutical composition for preventing or treating a OXPHOS-related disease, particularly cancer by inhibiting mitochondrial oxidative phosphorylation and reprogramming cellular metabolism.

  本发明涉及用于抑制线粒体氧化磷酸化（OXPHOS）的胍啉化合物及其使用。更具体地，本发明涉及一种用于预防或治疗与OXPHOS相关的疾病，特别是通过抑制线粒体氧化磷酸化和重编程细胞代谢的药物组合物。
• Bicyclic Pyrimidine Compounds
  申请人：Eli Lilly and Company

  公开号：US20140200231A1

  公开（公告）日：2014-07-17

  The present invention provides compounds of the Formula I: wherein X is a bond or CH 2 ; R is selected from the group consisting of R 1 and R 2 are each independently selected from the group consisting of CH and N; R 3 is H or CH 3 ; R 4 is H or CH 3 ; L is selected from the group consisting of —O(CH 2 ) 3 —, —C(O)NH(CH 2 ) 2 —, —CH 2 C(O)NH(CH 2 ) 2 —, —(CH 2 ) 3 N(C(O)CH 3 )CH 2 —, —(CH 2 ) 2 N(C(O)CH 3 )CH 2 —, —(CH 2 ) 3 NH—, (CH 2 ) 2 OCH 2 —, —(CH 2 ) 4 —, —(CH 2 ) 2 NHCH 2 —, —(CH 2 ) 3 O—, and —CH 2 O(CH 2 ) 2 —; or a pharmaceutically acceptable salt thereof. Compounds of this invention are autotaxin inhibitors.

  本发明提供了Formula I的化合物： 其中X是键或CH2； R从以下组中选择： R1和R2分别独立地从CH和N组中选择； R3是H或CH3； R4是H或CH3； L从以下组中选择：—O(CH2)3—、—C(O)NH(CH2)2—、—CH2C(O)NH(CH2)2—、—(CH2)3N(C(O)CH3)CH2—、—(CH2)2N(C(O)CH3)CH2—、—(CH2)3NH—、(CH2)2OCH2—、—(CH2)4—、—(CH2)2NHCH2—、—(CH2)3O—和—CH2O(CH2)2—； 或其药学上可接受的盐。 本发明的化合物是自体脂肪酶抑制剂。
• [EN] DIHYDROPYRIDO PYRIMIDINE COMPOUNDS AS AUTOTAXIN INHIBITORS<br/>[FR] COMPOSÉS DIHYDROPYRIDO-PYRIMIDINE SERVANT D'INHIBITEURS DE L'AUTOTAXINE
  申请人：LILLY CO ELI

  公开号：WO2014168824A1

  公开（公告）日：2014-10-16

  The present invention provides compounds of the formula (I) or a pharmaceutically acceptable salt thereof. Compounds of the invention are autotaxin inhibitors useful in the treatment of pain associated with osteoarthritis.

  本发明提供了式(I)的化合物或其药学上可接受的盐。本发明的化合物是自体脂肪酶抑制剂，可用于治疗与骨关节炎相关的疼痛。
• DIHYDROPYRIDO PYRIMIDINE COMPOUNDS AS AUTOTAXIN INHIBITORS
  申请人：Eli Lilly and Company

  公开号：US20150368240A1

  公开（公告）日：2015-12-24

  The present invention provides compounds of the formula (I) or a pharmaceutically acceptable salt thereof. Compounds of the invention are autotaxin inhibitors useful in the treatment of pain associated with osteoarthritis.

  本发明提供式(I)的化合物或其药学上可接受的盐。本发明的化合物是自体脂肪酶抑制剂，适用于治疗与骨关节炎相关的疼痛。
• IMIDAZO PYRIDINE COMPOUNDS
  申请人：ELI LILLY AND COMPANY

  公开号：US20150368273A1

  公开（公告）日：2015-12-24

  The present invention provides compounds of the formula I, wherein X is a bond or CH 2 ; Q is CH 2 or O; L is selected from the group consisting of —OCH 2 — and —CH 2 O—; or a pharmaceutically acceptable salt thereof. Compounds of the invention are autotaxin inhibitors.

  本发明提供了公式I的化合物，其中X为键合或CH2；Q为CH2或O；L从由—OCH2—和—CH2O—组成的群体中选择；或其药学上可接受的盐。本发明的化合物是自动税素酯酶抑制剂。