tert-butyl (2-(hydroxymethyl)butyl)carbamate | 1335139-43-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl (2-(hydroxymethyl)butyl)carbamate
• 英文别名: Tert-butyl 2-(hydroxymethyl)butylcarbamate；tert-butyl N-[2-(hydroxymethyl)butyl]carbamate
• CAS: 1335139-43-9
• 化学式: C₁₀H₂₁NO₃
• 分子量: 203.282
• InChiKey: KNSROTBVKXGNJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-(hydroxymethyl)butyl)carbamate 在 草酰氯 、 palladium 10% on activated carbon 、 水 、 氢气 、 二甲基亚砜 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 ethyl 4-{[(tert-butoxycarbonyl)amino]methyl}-2-{[1-(trans-4-methylcyclohexyl)-1H-imidazol-4-yl]methyl}hexanoate
  参考文献：
  名称：

  CYCLOALKYL-SUBSTITUTED IMIDAZOLE DERIVATIVE

  摘要：

  公开号：

  EP2548871B1
• 作为产物：
  描述：

  ethyl 3-benzylamino-2-ethylpropanoate 在 lithium aluminium tetrahydride 、 正丁基锂 、 palladium 10% on activated carbon 、 水 、 氢气 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 5.0h， 生成 tert-butyl (2-(hydroxymethyl)butyl)carbamate
  参考文献：
  名称：

  CYCLOALKYL-SUBSTITUTED IMIDAZOLE DERIVATIVE

  摘要：

  公开号：

  EP2548871B1

文献信息

• 6-(6-MEMBERED HETEROARYL & ARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF
  申请人：Samumed, LLC

  公开号：US20190125740A1

  公开（公告）日：2019-05-02

  Isoquinoline compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of an isoquinoline compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, Alzheimer's disease, lung disease, inflammation, auto-immune diseases and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  揭示了用于治疗各种疾病和病理的异喹啉化合物。更具体地，本公开涉及使用异喹啉化合物或其类似物治疗由Wnt途径信号激活所特征的疾病（例如癌症、异常细胞增殖、血管生成、阿尔茨海默病、肺部疾病、炎症、自身免疫疾病和骨关节炎），调节由Wnt途径信号介导的细胞事件，以及与DYRK1A过表达相关的神经状况/疾病/疾病。
• Cycloalkyl-Substituted Imidazole Derivative
  申请人：Nagata Tsutomu

  公开号：US20130022587A1

  公开（公告）日：2013-01-24

  A compound represented by the following general formula (I) or a pharmacologically acceptable salt thereof, wherein A represents a C3 to C12 cycloalkyl group which may be substituted by one to three selected from a fluoro group, a hydroxy group, a C1 to C6 alkyl group, etc; R 1 , R 2 , and R 3 each independently represent a hydrogen atom, a fluoro group, or a C1 to C6 alkyl group; R 4 represents a hydrogen atom or a prodrug group; and Y represents —CH 2 —CHR 5 —CH 2 —NHR 6 (wherein R 5 represents a hydrogen atom, a C1 to C6 alkyl group, or a C1 to C6 alkoxy group, and R 6 represents a hydrogen atom or a prodrug group), or the like exhibits excellent TAFIa inhibitory activity and is useful as a therapeutic drug for myocardial infarction, angina pectoris, acute coronary syndrome, cerebral infarction, deep vein thrombosis, pulmonary embolism, and the like.

  以下是通式（I）所代表的化合物或其药学上可接受的盐，其中A代表一个C3到C12的环烷基，该环烷基可以被一个到三个选自氟基、羟基、C1到C6烷基等的基团所取代；R1、R2和R3各自独立地代表氢原子、氟基或C1到C6烷基；R4代表氢原子或前药基团；Y代表—CH2—CHR5—CH2—NHR6（其中R5代表氢原子、C1到C6烷基或C1到C6烷氧基，R6代表氢原子或前药基团）等，具有极好的TAFIa抑制活性，是治疗心肌梗死、心绞痛、急性冠状动脉综合征、脑梗死、深静脉血栓形成、肺栓塞等疾病的治疗药物。
• Cycloalkyl-substituted imidazole derivative
  申请人：Nagata Tsutomu

  公开号：US08609710B2

  公开（公告）日：2013-12-17

  A compound represented by the following general formula (I) or a pharmacologically acceptable salt thereof, wherein A represents a C3 to C12 cycloalkyl group which may be substituted by one to three selected from a fluoro group, a hydroxy group, a C1 to C6 alkyl group, etc; R1, R2, and R3 each independently represent a hydrogen atom, a fluoro group, or a C1 to C6 alkyl group; R4 represents a hydrogen atom or a prodrug group; and Y represents —CH2—CHR5—CH2—NHR6 (wherein R5 represents a hydrogen atom, a C1 to C6 alkyl group, or a C1 to C6 alkoxy group, and R6 represents a hydrogen atom or a prodrug group), or the like exhibits excellent TAFIa inhibitory activity and is useful as a therapeutic drug for myocardial infarction, angina pectoris, acute coronary syndrome, cerebral infarction, deep vein thrombosis, pulmonary embolism, and the like.

  以下为通式（I）所代表的化合物或其药理学上可接受的盐，其中A代表C3至C12的环烷基，该环烷基可以被氟基、羟基、C1至C6烷基等中的一种至三种取代；R1、R2和R3各自独立地表示氢原子、氟基或C1至C6烷基；R4表示氢原子或前药基团；而Y表示-CH2-CHR5-CH2-NHR6（其中R5表示氢原子、C1至C6烷基或C1至C6烷氧基，而R6表示氢原子或前药基团），等等。该化合物具有出色的TAFIa抑制活性，并可用作治疗心肌梗死、心绞痛、急性冠状动脉综合征、脑梗死、深静脉血栓形成、肺栓塞等疾病的治疗药物。
• 6-(6-membered heteroaryl and aryl)isoquinolin-3-yl carboxamides and preparation and use thereof
  申请人：Samumed, LLC

  公开号：US10653688B2

  公开（公告）日：2020-05-19

  Isoquinoline compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of an isoquinoline compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, Alzheimer's disease, lung disease, inflammation, auto-immune diseases and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as neurological conditions/disorders/diseases linked to overexpression of DYRK1A.

  本发明公开了用于治疗各种疾病和病理的异喹啉化合物。更具体地说，本公开涉及异喹啉化合物或其类似物在治疗以 Wnt 通路信号激活为特征的疾病（如癌症、异常细胞增殖、血管生成、阿尔茨海默病、肺病、炎症、自身免疫性疾病和骨关节炎）、调节由 Wnt 通路信号介导的细胞事件以及与 DYRK1A 过度表达相关的神经系统状况/紊乱/疾病中的用途。
• TRIAZACYCLODODECANSULFONAMIDE ("TCD")-BASED PROTEIN SECRETION INHIBITORS
  申请人：KEZAR LIFE SCIENCES

  公开号：US20210078974A1

  公开（公告）日：2021-03-18

  Provided herein are triazacyclododecansulfonamide (“TCD”)-based protein secretion inhibitors, such as inhibitors of Sec61, methods for their preparation, related pharmaceutical compositions, and methods for using the same. For example, provided herein are compounds of Formula (I) and pharmaceutically acceptable salts and compositions including the same. The compounds disclosed herein may be used, for example, in the treatment of diseases including inflammation and/or cancer.