(S)-1-甲基-3-羟基哌啶 | 62367-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: (S)-1-甲基-3-羟基哌啶
• 中文别名: 1-甲基-(S)-3-羟基哌啶
• 英文名称: (S)-1-methylpiperidin-3-ol
• 英文别名: (3S)-1-methylpiperidin-3-ol
• CAS: 62367-59-3
• 化学式: C₆H₁₃NO
• 分子量: 115.175
• InChiKey: UKANCZCEGQDKGF-LURJTMIESA-N

物化性质

• 沸点：
  177.6±0.0 °C(Predicted)
• 密度：
  1.005±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 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：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  (S)-1-甲基-3-羟基哌啶 在 10% Pt/activated carbon 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 20.0 ℃ 、275.8 kPa 条件下， 反应 51.0h， 生成
  参考文献：
  名称：

  Deconstruction of sulfonamide inhibitors of the urotensin receptor (UT) and design and synthesis of benzylamine and benzylsulfone antagonists

  摘要：

  Potent small molecule antagonists of the urotensin receptor are described. These inhibitors were derived via systematically deconstructing a literature inhibitor to understand the basic pharmacophore and key molecular features required to inhibit the protein receptor. The series of benzylamine and benzylsulfone antagonists herein reported display a combination of nanomolar molecular and cellular potency as well as acceptable in vitro permeability and metabolic stability. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.105
• 作为产物：
  描述：

  3-羟基-1-甲基哌啶 在 吡啶 、 4-二甲氨基吡啶 、 Candida antarctica lipase B 、 环戊醇 、 环戊基甲醚 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 120.0h， 生成 (S)-1-甲基-3-羟基哌啶
  参考文献：
  名称：

  (R)-3-Hydroxy-N-methylpiperidine, (R)-Mepenzolate 的合成关键中间体, 基于外消旋形式的脂肪酶催化拆分的制备

  摘要：

  In this study, a two-step method for the gram-scale synthesis of (R)-3-hydroxy-N-methylpiperidine in 97.8% enantiomeric excess (ee) is reported. The key chiral synthetic intermediate of (R)-mepenzolate was formed in 22% yield over two steps using a commercially available and inexpensive racemic alcohol as the starting material. In the first step, Candida antarctica lipase B-catalyzed kinetic resolution of the racemic alcohol under acetylation conditions was performed to obtain the acetate form of the (R)-enantiomer in 82.1% ee (E 18). The second step involved enantio-enrichment using the same lipase to catalyze deacetylation. The ee of the product (R)-alcohol was further enriched to 97.8%.

  DOI：

  10.3987/com-16-s(s)28

文献信息

• DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS
  申请人：PFIZER INC.

  公开号：US20150259323A1

  公开（公告）日：2015-09-17

  Compounds of Formula I that inhibit the activity of the diacylglycerol acyltransferase 2 (DGAT2) and their uses in the treatment of diseases linked thereto in animals are described herein.

  本文描述了抑制二酰基甘油酰基转移酶2（DGAT2）活性的化合物I的使用，以及它们在治疗相关动物疾病中的用途。
• [EN] AMINOPYRIMIDINE HETEROCYCLIC COMPOUND WITH ADENOSINE RECEPTOR ANTAGONISTIC ACTIVITY<br/>[FR] COMPOSÉ AMINOPYRIMIDINE HÉTÉROCYCLIQUE PRÉSENTANT UNE ACTIVITÉ ANTAGONISTE DU RÉCEPTEUR DE L'ADÉNOSINE
  申请人：SUZHOU YUNXUAN YIYAO KEJI YOUXIAN GONGSI

  公开号：WO2017088755A1

  公开（公告）日：2017-06-01

  Disclosed hereinis an aminopyrimidine heterocyclic compound with adenosine receptor antagonistic activity, comprising a compound of the general formula (I), or a pharmaceutically acceptable salt thereof. The aminopyrimidine heterocyclic compound with adenosine receptor antagonistic activitydisclosed herein can be used as an effective adenosine receptor antagonist, and can be used for the treatment or prevention of disorders caused by abnormal level of adenosine.

  本文披露了一种具有腺苷受体拮抗活性的氨基嘧啶杂环化合物，包括一般式(I)的化合物或其药学上可接受的盐。本文披露的具有腺苷受体拮抗活性的氨基嘧啶杂环化合物可用作有效的腺苷受体拮抗剂，并可用于治疗或预防由腺苷水平异常引起的疾病。
• Optically Active Form of Mepenzolate, and Ameliorating Agent for Chronic Obstructive Pulmonary Disease Which Contains Same as Active Ingredient
  申请人：LTT BIO-PHARMA CO., LTD.

  公开号：US20160368873A1

  公开（公告）日：2016-12-22

  An optically active form of mepenzolate bromide is provided. An agent for ameliorating chronic obstructive pulmonary disease that contains the optically active form as an active ingredient and is based on a bronchodilator effect and an anti-inflammatory effect is also provided. (3R)- or (3S)-3-[(hydroxy)(diphenyl)acetoxy]-1,1-dimethylpiperidinium bromide (hereinafter referred to as “(R)- or (S)-mepenzolate bromide”) is provided. An agent for ameliorating chronic obstructive pulmonary disease that contains the (R)- or (S)-mepenzolate bromide as an active ingredient is provided. Furthermore, an agent for ameliorating chronic obstructive pulmonary disease whose mode of administration is airway administration or inhalation administration is provided.

  提供了一种旋光性的溴化美普托仑。还提供了一种以支气管扩张剂作用和抗炎作用为基础，含有该旋光性形式作为活性成分的改善慢性阻塞性肺病的药剂。提供了(3R)-或(3S)-3-[(羟基)(二苯基)乙氧基]-1,1-二甲基哌啶溴化物（以下简称为“(R)-或(S)-美普托隆溴化物”）。提供了一种含有(R)-或(S)-美普托隆溴化物作为活性成分的改善慢性阻塞性肺病的药剂。此外，还提供了一种以气道给药或吸入给药为给药方式的改善慢性阻塞性肺病的药剂。
• [EN] SULFONYLAMINOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSÉS SULFONYLAMINOPYRIDINE, COMPOSITIONS ET PROCÉDÉS D'UTILISATION ASSOCIÉS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016001341A1

  公开（公告）日：2016-01-07

  Provided are sulfonylaminopyridine compounds that are inhibitors of ITK kinase, compositions containing these compounds and methods for treating diseases mediated by ITK kinase. In particular, provided are compounds of Formula (I), (II) or (III), stereoisomers, tautomers, solvates, prodrugs or pharmaceutically acceptable salts thereof, where n, R1, R2, R3, R6 and R7 are defined herein, pharmaceutical compositions comprising the compound and a pharmaceutically acceptable carrier, adjuvant or vehicle, methods of using the compound or composition in therapy, for example, for treating a disease or condition mediated by ITK kinase in a patient.

  提供了一种磺酰氨基吡啶化合物，它们是ITK激酶的抑制剂，包含这些化合物的组合物以及治疗由ITK激酶介导的疾病的方法。具体来说，提供了Formula (I)、(II)或(III)的化合物，立体异构体、互变异构体、溶剂合物、前药或其药用可接受的盐，其中n、R1、R2、R3、R6和R7在此处定义，包括含有该化合物和药用可接受的载体、辅料或载体的药物组合物，使用该化合物或组合物进行治疗的方法，例如，用于治疗患有由ITK激酶介导的疾病或病况的患者。
• [EN] KRAS G12C INHIBITORS<br/>[FR] INHIBITEURS DE KRAS G12C
  申请人：MIRATI THERAPEUTICS INC

  公开号：WO2017201161A1

  公开（公告）日：2017-11-23

  The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

  本发明涉及抑制KRas G12C的化合物。特别是，本发明涉及不可逆地抑制KRas G12C活性的化合物，包括含有这些化合物的药物组合物及其使用方法。