Hydroxy-2-methylbutyl-3-ynecarbonitrile | 5844-69-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Hydroxy-2-methylbutyl-3-ynecarbonitrile
• 英文别名: 2-Hydroxy-2-methyl-3-butincarbonitril；1-Cyano-2-methyl-3-butinol；3-Hydroxy-3-methylpent-4-ynenitrile
• CAS: 5844-69-9
• 化学式: C₆H₇NO
• 分子量: 109.128
• InChiKey: CYYHMTAZQPFFDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

反应信息

• 作为反应物：
  描述：

  Hydroxy-2-methylbutyl-3-ynecarbonitrile 在 phosphorus pentoxide 作用下， 生成 cis+trans-2-Methyl-1-buten-3-incarbonitril
  参考文献：
  名称：

  Perveev,F.Ya.; Afonina,I.I., Journal of general chemistry of the USSR, 1971, vol. 41, p. 340 - 342

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙炔基-2-甲基环氧乙烷 、 氰化钾 以 乙醇 为溶剂， 生成 Hydroxy-2-methylbutyl-3-ynecarbonitrile
  参考文献：
  名称：

  Golodova,K.G.; Yakimovich,S.I., Journal of Organic Chemistry USSR (English Translation), 1972, vol. 8, p. 2530 - 2536

  摘要：

  DOI：

文献信息

• TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR
  申请人：Genentech, Inc.

  公开号：US20130217666A1

  公开（公告）日：2013-08-22

  The invention relates to novel compounds of Formula I: wherein A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , R 2 , R 4 , R 5 , R 6 , R 7 , R 8 and subscripts m and n each has the meaning as described herein. Compounds of Formula I and pharmaceutical compositions thereof are useful in the treatment of disease and disorders in which undesired or over-activation of NF-kB signaling is observed.

  本发明涉及公式I的新化合物：其中A1，A2，A3，A4，A5，A6，R2，R4，R5，R6，R7，R8和下标m和n的含义如此处所述。公式I的化合物及其制药组合物在治疗观察到NF-kB信号不良或过度激活的疾病和障碍方面是有用的。
• Tricyclic compounds and methods of use therefor
  申请人：Genentech, Inc.

  公开号：US09034866B2

  公开（公告）日：2015-05-19

  The invention relates to novel compounds of Formula I: wherein A1, A2, A3, A4, A5, A6, R2, R4, R5, R6, R7, R8 and subscripts m and n each has the meaning as described herein. Compounds of Formula I and pharmaceutical compositions thereof are useful in the treatment of disease and disorders in which undesired or over-activation of NF-kB signaling is observed.

  本发明涉及式I的新化合物：其中A1，A2，A3，A4，A5，A6，R2，R4，R5，R6，R7，R8和下标m和n的含义如此处所述。式I的化合物及其制备的药物组合物在治疗疾病和障碍方面是有用的，其中观察到NF-kB信号的不良或过度激活。
• Therapeutic compounds and uses thereof
  申请人：GENENTECH, INC.

  公开号：US10202378B2

  公开（公告）日：2019-02-12

  The present invention relates to compounds of formula (I): and to salts thereof, wherein R1-R6 have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of TAF1. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various TAF1-mediated disorders.

  本发明涉及式（I）化合物： 及其盐，其中 R1-R6 具有说明书中定义的任一值，以及其组合物和用途。这些化合物可用作 TAF1 的抑制剂。还包括包含式（I）化合物或其药学上可接受的盐的药物组合物，以及使用此类化合物和盐治疗各种TAF1介导的疾病的方法。
• THERAPEUTIC COMPOUNDS AND USES THEREOF
  申请人：GENENTECH, INC.

  公开号：US20180009805A1

  公开（公告）日：2018-01-11

  The present invention relates to compounds of formula (I): and to salts thereof, wherein R 1 -R 6 have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of TAF1. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various TAF1-mediated disorders.
• US9034866B2
  申请人：——

  公开号：US9034866B2

  公开（公告）日：2015-05-19