2,2-dimethylhept-4-yn-3-one | 122602-50-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethylhept-4-yn-3-one
• CAS: 122602-50-0
• 化学式: C₉H₁₄O
• 分子量: 138.21
• InChiKey: GRWSGTQSKRIMLQ-UHFFFAOYSA-N

物化性质

• 沸点：
  185.9±23.0 °C(Predicted)
• 密度：
  0.877±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  sodium ethanolate 、 2,2-dimethylhept-4-yn-3-one 以 乙醇 为溶剂， 反应 3.0h， 生成 5-ethoxy-2,2-dimethylhept-4-en-3-one
  参考文献：
  名称：

  Chopra, Akash K.; Moss, Gerard P.; Weedon, Basil C.L., Journal of the Chemical Society. Perkin transactions I, 1988, p. 1371 - 1382

  摘要：

  DOI：
• 作为产物：
  描述：

  1-丁炔 、 三甲基乙酸酐 在 正丁基锂 作用下， 生成 2,2-dimethylhept-4-yn-3-one
  参考文献：
  名称：

  Chopra, Akash K.; Moss, Gerard P.; Weedon, Basil C.L., Journal of the Chemical Society. Perkin transactions I, 1988, p. 1371 - 1382

  摘要：

  DOI：

文献信息

• INHIBITORS OF KRAS G12C MUTANT PROTEINS
  申请人：Araxes Pharma LLC

  公开号：US20160108019A1

  公开（公告）日：2016-04-21

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, tautomer, stereoisomer or prodrug thereof, wherein R 1 , R 2 , R 3a , R 3b , R 4a , R 4b , G 1 , G 2 , L, m 1 , m 2 and E are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.

  提供了作为G12C突变KRAS蛋白抑制剂活性的化合物。该化合物具有以下结构（I）：或其药学上可接受的盐、互变异构体、立体异构体或前药，其中R1、R2、R3a、R3b、R4a、R4b、G1、G2、L、m1、m2和E的定义如本文所述。还提供了与制备和使用这种化合物相关的方法，包括包含这种化合物的制药组合物以及用于治疗癌症等疾病的调节G12C突变KRAS蛋白活性的方法。
• SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Araxes Pharma LLC

  公开号：US20160297774A1

  公开（公告）日：2016-10-13

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have one of the following structures (I), (II) or (III): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein R 1 , R 2a , R 2b , R 2c , R 3a , R 3b , R 4a , R 4b , R 5a , R 5b , R 6 , A, B, G 1 , G 2 , L 1 , L 2 , m 1 , m 2 , n, x, y, X and E are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of G12C mutant KRAS protein for treatment of disorders, such as cancer, are also provided.
• PYRAZOLE COMPOUNDS AS BTK INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20160340339A1

  公开（公告）日：2016-11-24

  The present invention encompasses compounds of the formula (I) wherein the groups R 1 , Cy, and Y are defined herein, which are suitable for the treatment of diseases related to BTK, process of making, pharmaceutical preparations which contain compounds and their methods of use.
• METHOD FOR SCREENING INHIBITORS OF RAS
  申请人：Araxes Pharma LLC

  公开号：US20170131278A1

  公开（公告）日：2017-05-11

  Provided herein are compositions, reactions mixtures, mutant Ras proteins, kits, substrates, and systems for selecting a Ras antagonist, as well as methods of using the same.
• THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：The Regents of the University of Michigan

  公开号：US20170247391A1

  公开（公告）日：2017-08-31

  The present disclosure provides compounds and methods for inhibiting the interaction of menin with its upstream or downstream signaling molecules including but not limited to MLL1, MLL2 and MLL-fusion oncoproteins. Compounds of the disclosure may be used in methods for the treatment of a wide variety of cancers and other diseases associated with one or more of MLL1, MLL2, MLL fusion proteins, and menin.