1-Methyl-4-ethyl-4-piperidinol | 20734-31-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-Methyl-4-ethyl-4-piperidinol
• 英文别名: 1-Methyl-4-ethyl-4-piperidol；4-Hydroxy-1-methyl-4-ethyl-piperidin；4-Ethyl-N-methyl-piperidinol-4；4-Hydroxy-1-methyl-4-aethyl-piperidin；4-ethyl-1-methyl-piperidin-4-ol；4-Ethyl-1-methylpiperidin-4-ol
• CAS: 20734-31-0
• 化学式: C₈H₁₇NO
• 分子量: 143.229
• InChiKey: UVIWYXGNYKBDPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 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：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Methyl-4-ethyl-4-piperidinol 在 N-溴代丁二酰亚胺(NBS) 、 氢氟酸 、 五氟化锑 作用下， 反应 0.33h， 以70%的产率得到4-(1,1-difluoroethyl)-1-methylpiperidine
  参考文献：
  名称：

  宝石二氟化在超强酸中的作用：ions离子的戏剧性作用

  摘要：

  在HF / SbF 5中，在CCl 4或NBS的存在下，不饱和或羟基化的哌啶可产生高产率的二氟类似物。对氯代衍生物进行氢化物提取的能力以及从不饱和底物形成桥连溴离子的能力似乎完全影响了反应过程。通过DFT计算澄清了该机制的某些方面。

  DOI：

  10.1016/j.jfluchem.2008.06.020

文献信息

• COVALENT INHIBITORS OF KRAS G12C
  申请人：Araxes Pharma LLC

  公开号：US20140288045A1

  公开（公告）日：2014-09-25

  Irreversible inhibitors of G12C mutant K-Ras protein are provided. Also disclosed are methods to modulate the activity of G12C mutant K-Ras protein and methods of treatment of disorders mediated by G12C mutant K-Ras protein.

  G12C突变K-Ras蛋白的不可逆抑制剂已提供。还公开了调节G12C突变K-Ras蛋白活性的方法以及通过G12C突变K-Ras蛋白介导的疾病治疗方法。
• BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF
  申请人：Agency for Science, Technology and Research

  公开号：US20140371199A1

  公开（公告）日：2014-12-18

  The present invention relates to certain compounds (e.g., imidazopyrazine, imidazopyridine, imidazopyridazine and imidazpyrimidine compounds) that act as inhibitors of the MAP kinase interacting kinases MNK2a, MNK2b, MNK1a, and MNK1b. The present invention further relates to pharmaceutical compositions comprising these compounds, and to the use of the compounds for the preparation of a medicament for the prophylaxis and treatment of diseases (e.g., proliferative diseases (e.g., cancer), inflammatory diseases, Alzheimer's disease), as well as methods of treating these diseases.

  本发明涉及某些化合物（例如咪唑吡嗪、咪唑吡啶、咪唑吡嗪和咪唑嘧啶化合物），这些化合物作为MAP激酶相互作用激酶MNK2a、MNK2b、MNK1a和MNK1b的抑制剂。本发明还涉及包含这些化合物的药物组合物，以及利用这些化合物制备用于预防和治疗疾病（例如增生性疾病（例如癌症）、炎症性疾病、阿尔茨海默病）的药物的用途，以及治疗这些疾病的方法。
• [EN] MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS<br/>[FR] PYRRAZOLES FUSIONNÉS MACROCYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DE MCL-1
  申请人：ASCENTAGE PHARMA SUZHOU CO LTD

  公开号：WO2020151738A1

  公开（公告）日：2020-07-30

  Provided are compounds represented by Formula IA: (IA), and the pharmaceutically acceptable salts and solvates thereof, wherein R, R 1a, R 1b, L 1, L 2, L 3, X, A, B and C are as defined as set forth in the specification. Also provided compounds of Formula IA for use to treat a condition or disorder responsive to Mcl-1 inhibition such as cancer.

  提供由化学式IA表示的化合物，以及其在药学上可接受的盐和溶剂化合物，其中R、R 1a、R 1b、L 1、L 2、L 3、X、A、B和C的定义如规范中所述。还提供了化学式IA的化合物，用于治疗对Mcl-1抑制敏感的疾病或紊乱，如癌症。
• [EN] COMPOUNDS FOR USE IN STABILISING p53 MUTANTS<br/>[FR] COMPOSÉS PERMETTANT DE STABILISER LES MUTANTS DE P53
  申请人：MEDICAL RES COUNCIL

  公开号：WO2012175962A1

  公开（公告）日：2012-12-27

  Provided are compounds for use in a method of treatment of a subject who has a lesion or a tumour in which p53 carries a Y220C mutation, in which the compound is selected from compounds of the following formula (I), and pharmaceutically acceptable salts, hydrates, and solvates thereof: (I) R: where A is CR4 or N; -R-1 is selected from -OH, -OMe, -NH2, -SH, -F and -CF3; -R2 is selected from -CI, -Br, -I, and ethynyl (-C≡CH); -R3 is selected from -I, -Br, -CI, ethynyl (-C≡CH), -R35, -H, -OMe, and -N02; wherein -R3S is selected from: and -R5 is selected from -COOH and: 8A formula Ilia formula 1Mb formula 111 o 3 where -R6, -R7A, - R7B, -Rs, and -R8A are as defined in the specification. Compounds of formula (I) are also provided, as is their use in methods of treatment, and methods for their preparation.

  提供了用于治疗患有p53携带Y220C突变的病变或肿瘤的方法中使用的化合物，其中该化合物从以下公式(I)的化合物中选择，并且其药学上可接受的盐、水合物和溶剂化合物：(I) R：其中A为CR4或N；-R-1选择自-OH、-OMe、-NH2、-SH、-F和-CF3；-R2选择自-Cl、-Br、-I和乙炔（-C≡CH）；-R3选择自-I、-Br、-Cl、乙炔（-C≡CH）、-R35、-H、-OMe和-N02；其中-R3S选择自：和-R5选择自-COOH和：8A公式Ilia公式1Mb公式111 o 3其中-R6、-R7A、-R7B、-Rs和-R8A如规范中所定义。还提供了公式(I)的化合物，以及它们在治疗方法中的使用和制备方法。
• [EN] NICOTINAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS DE NICOTINAMIDE
  申请人：PFIZER LTD

  公开号：WO2009153721A1

  公开（公告）日：2009-12-23

  The present invention relates to compounds of the formula (I) and pharmaceutically acceptable salts and solvates thereof, wherein the substituents are defined herein, to compositions containing such compounds and to the uses of such compounds for the treatment of allergic and respiratory conditions.

  本发明涉及式(I)化合物及其药用可接受的盐和溶剂化物，其中取代基在此处定义，含有此类化合物的组合物，以及使用此类化合物治疗过敏和呼吸系统疾病的用途。