(1S,2S)-2-氨基环庚醇 | 145166-04-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (1S,2S)-2-氨基环庚醇
• 英文名称: (1S,2S)-trans-2-aminocycloheptanol
• 英文别名: (S,S)-trans-2-aminocycloheptanol；(1S,2S)-2-aminocycloheptanol；(1S,2S)-aminocycloheptanol；trans-2-aminocycloheptanol；(1S,2S)-2-aminocycloheptan-1-ol
• CAS: 145166-04-7
• 化学式: C₇H₁₅NO
• 分子量: 129.202
• InChiKey: ZWOFTVSNNFYPAB-BQBZGAKWSA-N

物化性质

• 沸点：
  222.3±33.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  (1S,2S)-2-氨基环庚醇 在 potassium hydrogencarbonate 、 pyridinium chlorochromate 作用下， 以 乙醚 、 二氯甲烷 、 水 为溶剂， 反应 120.0h， 生成 (S)-N-tert-butoxycarbonyl-2-aminocycloheptanone
  参考文献：
  名称：

  Synthesis of EnantiopureN-tert-Butoxycarbonyl-2-aminocycloalkanones

  摘要：

  A route to enantiomerically pure N-tert-butoxycarbonyl-2-aminocycloalkanones (ring size: 5-8 membered) from the corresponding cycloalkene oxides is described. The procedure involves (1) aminolysis with (S)-alpha-methylbenzylamine/Me3Al and chromatographic separation of diastereomers, (2) hydrogenolysis to afford the trans-2-aminocycloalkanols, (3) tert-butoxycarbonyl (Boc) protection, and (4) PCC oxidation.

  DOI：

  10.1080/00397919208021127
• 作为产物：
  描述：

  (1S,2S)-trans-2-azidocycloheptanol 在 三苯基膦 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 以76%的产率得到(1S,2S)-2-氨基环庚醇
  参考文献：
  名称：

  脂肪酶催化的（±）-反式和顺式-2-叠氮基环烷醇的动力学拆分。

  摘要：

  描述了脂肪酶催化的反式和顺式-2-叠氮基环烷醇的动力学拆分以及对映体纯的反式和顺式-2-氨基环烷醇的制备。筛选了四种脂肪酶，用于反式和顺式-2-叠氮基环烷醇的乙酰化。其中，假单胞菌属sp。脂肪酶（脂肪酶PS和脂肪酶AK，Amomo Pharmaceutical Co.）显示出最高的对映选择性。使用（S）-TBMB羧酸[（S）-2-叔丁基-2-甲基- 1,3-苯并二恶唑-4-羧酸]作为手性转化试剂。CD分析的结果证明N，O-双-（S）-TBMB羧化的顺-2-氨基环烷醇主要采用N-赤道构象。

  DOI：

  10.1271/bbb.63.2150

文献信息

• [EN] M1 RECEPTOR POSITIVE ALLOSTERIC MODULATOR COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 ET LEURS MÉTHODES D'UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2017151449A1

  公开（公告）日：2017-09-08

  The present invention is directed to compounds of Formula (I): and pharmaceutically acceptable salts thereof, wherein Q, X, Y, Z, R1, R7 and n are defined herein. The compounds of Formula (I) are M1 receptor positive allosteric modulators that are useful in the treatment of diseases in which the M1 receptor is involved, including Alzheimer's disease, schizophrenia, pain and sleep disorders. The invention also relates to pharmaceutical compositions comprising a compound of Formula (I) and a pharmaceutically acceptable carrier, and to methods of using the compounds of Formula (I) in the treatment of diseases mediated by the M1 receptor.

  本发明涉及式(I)的化合物及其药学上可接受的盐，其中Q、X、Y、Z、R1、R7和n在此处被定义。式(I)的化合物是M1受体正向变构调节剂，在治疗涉及M1受体的疾病中具有用途，包括阿尔茨海默病、精神分裂症、疼痛和睡眠障碍。该发明还涉及包括式(I)化合物和药学上可接受的载体的药物组合物，以及使用式(I)化合物治疗由M1受体介导的疾病的方法。
• 4-Azaindole Derivatives
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US20150094328A1

  公开（公告）日：2015-04-02

  4-Azaindole derivatives which are modulators of muscarinic acetylcholine receptor (mAChR) M1 and which may be effective for the prevention or disease modifying or symptomatic treatment of cognitive deficits associated with neurological disorders such as Alzheimer-type dementia (AD) or dementia with Lewy bodies (DLB), and a pharmaceutical composition comprising a 4-azaindole derivative as an active ingredient.

  4-氮杂吲哚衍生物是肌胆碱受体（mAChR）M1的调节剂，可能对预防或疾病修饰或症状性治疗与神经系统疾病如阿尔茨海默病（AD）或带有Lewy小体的痴呆症相关的认知缺陷有效，并且包括4-氮杂吲哚衍生物作为活性成分的药物组合物。
• [EN] DIHYDROPYRIDO QUINAZOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 DE DIHYDROPYRIDOQUINAZOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2017123482A1

  公开（公告）日：2017-07-20

  Disclosed herein are compounds of formula (I), which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases, in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本文披露了式（I）的化合物，这些化合物是M1受体阳性变构调节剂，可用于治疗涉及M1受体的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包含这些化合物的药物组合物，以及在治疗由M1受体介导的疾病中使用这些化合物和组合物。
• [EN] 4-AZAINDOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE 4-AZAINDOLE
  申请人：EISAI R&D MAN CO LTD

  公开号：WO2015049574A1

  公开（公告）日：2015-04-09

  4-Azaindole derivatives which are modulators of muscarinic acetylcholine receptor (mAChR) M1 and which may be effective for the prevention or disease modifying or symptomatic treatment of cognitive deficits associated with neurological disorders such as Alzheimer-type dementia (AD) or dementia with Lewy bodies (DLB), and a pharmaceutical composition comprising a 4-azaindole derivative as an active ingredient.

  4-氮杂吲哚衍生物是肌氨酸乙酰胆碱受体（mAChR）M1的调节剂，可能对预防或疾病修饰或症状性治疗与神经系统疾病（如阿尔茨海默病（AD）或带有Lewy小体的痴呆症（DLB））相关的认知缺陷有效，并且包括4-氮杂吲哚衍生物作为活性成分的药物组合物。
• [EN] BENZOISOQUINOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 DE BENZOISOQUINOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2018005249A1

  公开（公告）日：2018-01-04

  The present invention is directed to substituted benzoisoquinolinone compounds, their salts, pharmaceutical compositions comprising them and their use in therapy. In particular, the invention is directed substituted benzoisoquinolinone compounds which are muscarinic M1 receptor positive allosteric modulators. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M1 receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M1 receptors are involved.

  本发明涉及替代苯并异喹啉酮化合物、它们的盐、包含它们的药物组合物以及它们在治疗中的用途。具体来说，该发明涉及替代苯并异喹啉酮化合物，这些化合物是肌胆碱M1受体阳性变构调节剂。本发明还涉及所述化合物在潜在治疗或预防M1受体参与的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗M1受体参与的疾病中的用途。