异丁酸2,2,2-三氯乙酯 | 57392-45-7

• 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
• 中文名称: 异丁酸2,2,2-三氯乙酯
• 英文名称: Isobutyric acid 2,2,2-trichloroethyl ester
• 英文别名: 2,2,2-Trichloroethyl 2-methylpropanoate
• CAS: 57392-45-7
• 化学式: C₆H₉Cl₃O₂
• 分子量: 219.495
• InChiKey: QNYXMOBLXOMWCE-UHFFFAOYSA-N

物化性质

• 沸点：
  264.1±35.0 °C(Predicted)
• 密度：
  1.325±0.06 g/cm3(Predicted)
• 保留指数：
  1102

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,2,2-三氯乙醇 、 异丁酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 生成 异丁酸2,2,2-三氯乙酯
  参考文献：
  名称：

  Theil, Fritz; Schick, Hans; Lapitskaya, Margarita A., Liebigs Annalen der Chemie, 1991, # 3, p. 195 - 200

  摘要：

  DOI：

文献信息

• KRAS G12C INHIBITORS AND METHODS OF USING THE SAME
  申请人：AMGEN INC.

  公开号：US20180177767A1

  公开（公告）日：2018-06-28

  Provided herein are KRAS G12C inhibitors, composition of the same, and methods of using the same. These inhibitors are useful for treating a number of disorders, including pancreatic, colorectal, and lung cancers.

  本文提供了KRAS G12C抑制剂，其组成，以及使用方法。这些抑制剂对治疗多种疾病有用，包括胰腺癌、结直肠癌和肺癌。
• POLYGONAL SCAFFOLD AND MANUFACTURING METHOD THEREOF, AND PROTEIN MODULATOR AND MANUFACTURING METHOD THEREOF
  申请人：NATIONAL TSING HUA UNIVERSITY

  公开号：US20190194590A1

  公开（公告）日：2019-06-27

  A polygonal scaffold includes at least three polyproline II (PPII) helix rods and at least three connectors. Each of the PPII helix rods is composed of a plurality of repeat units represented by Formula (i), and at least one of the PPII helix rods has at least one of hydrogen atoms of at least one of the repeat units being substituted by a first chemical handle for connecting a ligand. Each of the connectors is a divalent organic group, and every two of the PPII helix rods are connected by one of the connectors to form a closed ring.

  一个多边形支架包括至少三根聚脯氨酸Ⅱ（PPII）螺旋棒和至少三个连接器。每根PPII螺旋棒由多个由公式（i）表示的重复单元组成，至少其中一根PPII螺旋棒中的至少一个重复单元的至少一个氢原子被第一化学手柄替代以连接配体。每个连接器是二价有机基团，每两根PPII螺旋棒由一个连接器连接形成闭合环。
• ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE
  申请人：INFINITY PHARMACEUTICALS, INC.

  公开号：US20150099738A1

  公开（公告）日：2015-04-09

  The present invention provides isoxazoline FAAH inhibitors of the formula (I): or pharmaceutically acceptable forms thereof, wherein each of G, R a , R b , R c , and R d are as defined herein. The present invention also provides pharmaceutical compositions comprising a compound of formula (I), or a pharmaceutically acceptable form thereof, and a pharmaceutically acceptable excipient. The present invention also provides methods for treating an FAAH-mediated condition comprising administering a therapeutically effective amount of a compound of formula (I), or pharmaceutically acceptable form thereof, to a subject in need thereof.

  本发明提供了式（I）的异噁唑烷FAAH抑制剂或其药学上可接受的形式，其中G、Ra、Rb、Rc和Rd的定义如本文所述。本发明还提供了含有式（I）化合物或其药学上可接受的形式和药学上可接受的载体的制剂。本发明还提供了治疗FAAH介导疾病的方法，包括向需要治疗的受体中投与式（I）化合物或其药学上可接受的形式的治疗有效量。
• BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER
  申请人：Amgen Inc.

  公开号：EP4001269A1

  公开（公告）日：2022-05-25

  Provided herein are compounds of formulae (I), (II), (III), (III´), (IV), (IV´) and (V): as KRAS G12C inhibitors for use in treating cancer, such as e.g. pancreatic, colorectal and lung cancer. Preferred compounds are e.g. benzoisothiazole, isothiazolo[3,4-b]pyridine, quinazoline, phthalazine, pyrido[2,3-d]pyridazine and pyrido[2,3-d]pyrimidine derivatives. An exemplary compound is e.g. 1-(4-(6-(2-bromo-5-hydroxyphenyl)-5-chloro-7-fluorobenzo[c]isothiazol-3-yl)piperazin-1-yl)prop-2-en-1-one (example 1-1):

  这里提供的是式 (I)、(II)、(III)、(III´)、(IV)、(IV´) 和 (V) 的化合物： 作为 KRAS G12C 抑制剂用于治疗癌症，如胰腺癌、结直肠癌和肺癌。 首选化合物为苯并异噻唑、异噻唑并[3,4-b]吡啶、喹唑啉、酞嗪、吡啶并[2,3-d]哒嗪和吡啶并[2,3-d]嘧啶衍生物等。 例如，1-(4-(6-(2-溴-5-羟基苯基)-5-氯-7-氟苯并[c]异噻唑-3-基)哌嗪-1-基)丙-2-烯-1-酮（例 1-1）就是一种示例性化合物：
• Polygonal scaffold and manufacturing method thereof, and protein modulator and manufacturing method thereof
  申请人：NATIONAL TSING HUA UNIVERSITY

  公开号：US10443026B2

  公开（公告）日：2019-10-15

  A polygonal scaffold includes at least three polyproline II (PPII) helix rods and at least three connectors. Each of the PPII helix rods is composed of a plurality of repeat units represented by Formula (i), and at least one of the PPII helix rods has at least one hydrogen atom of at least one of the repeat units being substituted by a first chemical handle for connecting a ligand. Each of the connectors is a divalent organic group, and every two of the PPII helix rods are connected by one of the connectors to form a closed ring. Therefore, with the uniform composition, the PPII helix rods have a stable helical structure under aqueous conditions, and a desired rigidity can be provided.

  多边形支架包括至少三个聚脯氨酸 II（PPII）螺旋杆和至少三个连接体。每根 PPII 螺旋杆都由式（i）表示的多个重复单元组成，并且至少有一根 PPII 螺旋杆的至少一个重复单元的至少一个氢原子被用于连接配体的第一化学柄取代。每个连接体都是二价有机基团，每两个 PPII 螺旋杆由一个连接体连接，形成一个闭环。因此，在组成均匀的情况下，PPII 螺旋杆在水性条件下具有稳定的螺旋结构，并能提供所需的刚性。