3-羟基-3-哌啶甲醇 | 848069-91-0

• 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: 3-羟基-3-哌啶甲醇
• 英文名称: 3-(hydroxymethyl)piperidin-3-ol
• CAS: 848069-91-0
• 化学式: C₆H₁₃NO₂
• mdl: MFCD13183899
• 分子量: 131.175
• InChiKey: RNGTVNNILWIEBH-UHFFFAOYSA-N

物化性质

• 沸点：
  270.5±20.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52.5
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  3-羟基-3-哌啶甲醇 在 对甲苯磺酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 7-(2-chloro-6,8-difluoroquinazolin-4-yl)-2,2-dimethyl-1,3-dioxa-7-azaspiro[4.5]decane
  参考文献：
  名称：

  [EN] SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS
  [FR] PETITES MOLÉCULES INHIBITRICES DE PROTÉINES À MUTATION KRAS

  摘要：

  Compounds of Formula (I) or their pharmaceutically acceptable salts can inhibit the G12C, G12D and/or G12V mutants of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.

  公开号：

  WO2023097227A1
• 作为产物：
  描述：

  3-hydroxy-3-(hydroxymethyl)-1-(phenylmethyl)piperidine 在 palladium on carbon 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 20.0h， 以99%的产率得到3-羟基-3-哌啶甲醇
  参考文献：
  名称：

  [EN] QUINOLONE ANTIBACTERIAL AGENTS
  [FR] AGENTS ANTIBACTERIENS A BASE DE QUINOLONE

  摘要：

  公开号：

  WO2005026145A3

文献信息

• [EN] SUBSTITUTED AZA COMPOUNDS AS IRAK-4 INHIBITORS<br/>[FR] COMPOSÉS AZA SUBSTITUÉS COMME INHIBITEURS DE L'IRAK-4
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2017009806A1

  公开（公告）日：2017-01-19

  The present invention provides substituted aza compounds of formula (I) or (II) and pharmaceutically acceptable salts thereof, and their use to inhibit IRAK-4 and/or for the treatment of diseases or disorders induced by IRAK-4.

  本发明提供了式（I）或（II）的取代氮杂化合物及其在药学上可接受的盐，并且它们用于抑制IRAK-4和/或治疗由IRAK-4引起的疾病或紊乱。
• 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF
  申请人：Bayer Aktiengesellschaft

  公开号：US20190263805A1

  公开（公告）日：2019-08-29

  The present application relates to novel 7-substituted 1-arylnaphthyridine-3-carboxamides, to processes for their preparation, to their use, alone or in combinations, for the treatment and/or prevention of diseases, and to their use for the production of medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of cardiovascular disorders and/or renal disorders.

  本申请涉及新颖的7-取代的1-芳基喹啉并吡啶-3-羧酰胺，其制备方法，其单独或组合使用，用于治疗和/或预防疾病，以及用于生产药物以治疗和/或预防疾病，特别是用于治疗和/或预防心血管疾病和/或肾脏疾病。
• Antibacterial agents
  申请人：Ellsworth Lee Edmund

  公开号：US20050096278A1

  公开（公告）日：2005-05-05

  Compounds of formula I, II, III, IV, IV, and VI and methods for their preparation are disclosed. Further disclosed are methods of making biologically active compounds of formula I as well as pharmaceutically acceptable compositions comprising compounds of formula I. Compounds of formula I as disclosed herein can be used in a variety of applications including use as antibacterial agents.

  本文披露了I、II、III、IV、V和VI式化合物的制备方法。还披露了制备公式I的生物活性化合物的方法，以及包括公式I化合物的药学上可接受的组合物的方法。本文所披露的公式I化合物可用于各种应用，包括用作抗菌剂。
• Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies
  作者：Venkateshwar Rao Gummadi、Anima Boruah、Bharathi Raja Ainan、Brahma Reddy Vare、Srinivas Manda、Hari Prakash Gondle、Shiva Nagendra Kumar、Subhendu Mukherjee、Suraj T. Gore、Narasimha Rao Krishnamurthy、Sivapriya Marappan、Shilpa S. Nayak、Kavitha Nellore、Wesley Roy Balasubramanian、Archana Bhumireddy、Sanjeev Giri、Sreevalsam Gopinath、Dodheri S. Samiulla、Girish Daginakatte、Aravind Basavaraju、Shekar Chelur、Rajesh Eswarappa、Charamanna Belliappa、Hosahalli S. Subramanya、Robert N. Booher、Murali Ramachandra、Susanta Samajdar

  DOI：10.1021/acsmedchemlett.0c00255

  日期：2020.12.10

  Small molecule potent IRAK4 inhibitors from a novel bicyclic heterocycle class were designed and synthesized based on hits identified from Aurigene's compound library. The advanced lead compound, CA-4948, demonstrated good cellular activity in ABC DLBCL and AML cell lines. Inhibition of TLR signaling leading to decreased IL-6 levels was also observed in whole blood assays. CA-4948 demonstrated moderate to high selectivity in a panel of 329 kinases as well as exhibited desirable ADME and PK profiles including good oral bioavailability in mice, rat, and dog and showed >90% tumor growth inhibition in relevant tumor models with excellent correlation with in vivo PD modulation. CA-4948 was well tolerated in toxicity studies in both mouse and dog at efficacious exposure. The overall profile of CA-4948 prompted us to select it as a clinical candidate for evaluation in patients with relapsed or refractory hematologic malignancies including non-Hodgkin lymphoma and acute myeloid leukemia.
• 7-SUBSTITUIERTE 1-ARYL-NAPHTHYRIDIN-3-CARBONSÄUREAMIDE UND IHRE VERWENDUNG
  申请人：Bayer Aktiengesellschaft

  公开号：EP3512849A1

  公开（公告）日：2019-07-24