(3S)-3-methoxymethylmorpholine | 218595-25-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (3S)-3-methoxymethylmorpholine
• 英文别名: (S)-3-(Methoxymethyl)morpholine；(3S)-3-(methoxymethyl)morpholine
• CAS: 218595-25-6
• 化学式: C₆H₁₃NO₂
• 分子量: 131.175
• InChiKey: JSKYPBXAHHTFRT-LURJTMIESA-N

物化性质

• 沸点：
  180℃
• 密度：
  0.954
• 闪点：
  63℃

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P210,P260,P264,P280,P301+P330+P331,P303+P361+P353,P304+P340,P305+P351+P338,P310,P363,P370+P378,P403+P235,P405,P501
• 危险品运输编号：
  2735
• 危险性描述：
  H314,H227

反应信息

• 作为反应物：
  描述：

  (3S)-3-methoxymethylmorpholine 在 palladium diacetate 、 铁粉 、 氯化铵 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.5h， 生成 (S)-5-chloro-N-(3-chloro-5-(3-(methoxymethyl)morpholino)phenyl)-2-(1,1-dioxidoisothiazolidin-2-yl)isonicotinamide
  参考文献：
  名称：

  [EN] COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  [FR] COMPOSÉS, COMPOSITIONS ET PROCÉDÉS D'UTILISATION ASSOCIÉS

  摘要：

  Herein, compounds, compositions and methods for modulating inclusion formation and stress granules in cells related to the onset of neurodegenerative diseases, musculoskeletal diseases, cancer, ophthalmological diseases, and viral infections are described.

  公开号：

  WO2023060173A1
• 作为产物：
  描述：

  (R)-4-苄基-3-(氯甲基)吗啉 在 palladium 10% on activated carbon 、 氢气 、 sodium iodide 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 生成 (3S)-3-methoxymethylmorpholine
  参考文献：
  名称：

  Development of the First Generation of Disulfide-Based Subtype-Selective and Potent Covalent Pyruvate Dehydrogenase Kinase 1 (PDK1) Inhibitors

  摘要：

  Pyruvate dehydrogenase kinases (PDKs) are overexpressed in most cancer cells and are responsible for aberrant glucose metabolism. We previously described bis(4-morpholinyl thiocarbonyl)-disulfide (JX06, 16) as the first covalent inhibitor of PDK1. Here, on the basis of the scaffold of 16, we identify two novel types of disulfide-based PDK1 inhibitors. The most potent analogue, 3a, effectively inhibits PDK1 both at the molecular (k(mact)/K-i = 4.17 x 10(3) M-1 s(-1)) and the cellular level (down to 0.1 mu M). In contrast to 16, 3a is a potent and subtype-selective inhibitor of PDK1 with >40-fold selectivity for PDK2-4. 3a also significantly alters glucose metabolic pathways in A549 cells by decreasing ECAR and increasing ROS. Moreover, in the xenograft models, 3a shows significant antitumor activity with no negative effect to the mice weight. Collectively, these data demonstrate that 3a may be an excellent lead compound for the treatment of cancer as a first-generation subtype-selective and covalent PDK1 inhibitor.

  DOI：

  10.1021/acs.jmedchem.6b01245

文献信息

• [EN] CHEMOKING RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS DE CHIMIOKINES
  申请人：ABBOTT LAB

  公开号：WO2013010453A1

  公开（公告）日：2013-01-24

  Disclosed herein are chemokine receptor antagonists of formula (I) wherein G1, X1, X2, and X3 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

  本文揭示了化学受体拮抗剂的化学式(I)，其中G1、X1、X2和X3如规范中所定义。还描述了包含这种化合物的组合物；以及使用这种化合物和组合物治疗疾病和疾病的方法。
• AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS
  申请人：——

  公开号：US20030114668A1

  公开（公告）日：2003-06-19

  This invention relates to piperazine derivatives of formula (I), wherein Y is bond or lower alkylene, R1 is aryl which may have substituent(s), R2 is aryl or indolyl, each of which may have substituent(s), R3 is hydrogen or lower alkyl, and R4 is as defined in the description, and its pharmaceutically acceptable salt, to processes for preparation thereof, to pharmaceutical composition comprising the same, and to a use of the same for treating or preventing Tachykinin-mediated diseases in human beings or animals. 1

  本发明涉及式(I)的哌嗪衍生物，其中Y是键或低级烷基，R1是可能含有取代基的芳基，R2是芳基或吲哚基，其中每个都可能含有取代基，R3是氢或低级烷基，R4如描述中定义，以及其药用可接受的盐，其制备过程，包含该化合物的药物组合物，以及用于治疗或预防人类或动物中速激肽介导的疾病的用途。
• [EN] CYCLIC COMPOUNDS AS RECEPTOR MODULATING THERAPEUTICS AND METHODS AND USES THEREOF<br/>[FR] COMPOSÉS CYCLIQUES UTILISÉS EN TANT QU'AGENTS THÉRAPEUTIQUES DE MODULATION DE RÉCEPTEUR ET PROCÉDÉS ET UTILISATIONS DE CEUX-CI
  申请人：BIONOMICS LTD

  公开号：WO2020077414A1

  公开（公告）日：2020-04-23

  The present invention relates generally to chemical compounds of formula (I) and methods for their use and preparation. In particular, the invention relates to chemical compounds which are useful in relation to the treatment of diseases, disorders or conditions which would benefit from the modulation of the alpha 7 nicotinic acetylcholine receptor (α7 nAChR), such as anxiety, depression and stress related disorders.

  本发明一般涉及化合物的化学式(I)以及其使用和制备方法。具体而言，该发明涉及化合物，其在与治疗疾病、紊乱或情况有关的方面具有用处，这些疾病、紊乱或情况将受益于对α7尼古丁乙酰胆碱受体（α7 nAChR）的调节，例如焦虑、抑郁和与压力有关的紊乱。
• [EN] 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE COMPOUNDS AS HPK1 INHIBITOR AND USE THEREOF<br/>[FR] COMPOSÉS DE 3-[(1H-PYRAZOL-4-YL)OXY]PYRAZIN-2-AMINE UTILISÉS EN TANT QU'INHIBITEUR DE HPK1 ET LEUR UTILISATION
  申请人：BEIGENE LTD

  公开号：WO2022068848A1

  公开（公告）日：2022-04-07

  Disclosed herein is 3- [ (1H-pyrazol-4-yl) oxy] pyrazin-2-amine compounds of Formula (I), or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and pharmaceutical compositions comprising thereof. Also disclosed is a method of modulating, e.g., inhibiting or treating HPK1 related disorders or diseases including cancer by using the compound disclosed herein

  本文揭示了化合物3-[(1H-吡唑-4-基)氧基]吡嗪-2-胺的公式(I)或其立体异构体，或其药学上可接受的盐，以及包含它们的制药组合物。还揭示了使用本文所揭示的化合物来调节，例如，抑制或治疗与HPK1相关的疾病或疾病，包括癌症的方法。
• Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists
  申请人：Miyake Hiroshi

  公开号：US20050027121A1

  公开（公告）日：2005-02-03

  This invention relates to piperazine derivatives of the formula: wherein each symbol is as defined in the description, and its pharmaceutically acceptable salt, to processes for preparation thereof, to pharmaceutical composition comprising the same, and to a use of the same for treating or preventing Tachykinin-mediated diseases in human being or animals.

  本发明涉及以下式子的哌嗪衍生物：其中每个符号如描述中定义的那样，并且其药学上可接受的盐，用于其制备的过程，包括相同的制药组合物，以及用于治疗或预防人类或动物的Tachykinin介导疾病的用途。