2-Fluoro-4,4-dimethylpent-1-en-3-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Fluoro-4,4-dimethylpent-1-en-3-one
• 英文别名: 2-fluoro-4,4-dimethylpent-1-en-3-one
• 化学式: C₇H₁₁FO
• 分子量: 130.16
• InChiKey: LJJIXMGBHIUBMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Araxes Pharma LLC

  公开号：US20180015087A1

  公开（公告）日：2018-01-18

  Conjugates of a cereblon-binding compound and compounds having modulatory activity against G12C mutant KRAS, HRAS or NRAS G12C proteins are provided. Methods associated with preparation and use of such conjugates, pharmaceutical compositions comprising such conjugates and methods to modulate the activity of G12C mutant KRAS, HRAS or NRAS G12C proteins for treatment of disorders, such as cancer, are also provided.

  提供了与谷氨酰脑结合化合物和具有调节活性对抗G12C突变KRAS、HRAS或NRAS G12C蛋白的化合物的共轭物。还提供了与制备和使用这种共轭物相关的方法，包括含有这种共轭物的药物组合物以及调节G12C突变KRAS、HRAS或NRAS G12C蛋白活性的方法，用于治疗癌症等疾病。
• Small Molecule Inhibitors of KRAS G12C Mutant
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20210122764A1

  公开（公告）日：2021-04-29

  The disclosure provides compounds of Formula (I) or a pharmaceutically acceptable salt thereof, wherein W 1 , W 2 , Y, Z, M, L, C y , C z , R 1 , R 2 , R 3 , R 4 , R 2a , R y , R z and the subscripts m, n, q, and r are as described herein. The compounds or their pharmaceutically acceptable salts can inhibit the G12C mutant of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.

  该披露提供了Formula (I)的化合物或其药用盐，其中W1、W2、Y、Z、M、L、Cy、Cz、R1、R2、R3、R4、R2a、Ry、Rz以及下标m、n、q和r如本文所述。这些化合物或其药用盐可以抑制Kirsten大鼠肉瘤（KRAS）蛋白的G12C突变体，并有望作为治疗剂具有用途，例如用于治疗癌症。该披露还提供了包含Formula (I)的化合物或其药用盐的药物组合物。该披露还涉及使用这些化合物或其药用盐在癌症的治疗和预防中的方法，以及为此目的制备药物。
• THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE
  申请人：Cao Sheldon

  公开号：US20140206673A1

  公开（公告）日：2014-07-24

  Provided are compounds of formula (I), wherein X, Y, Z, W, V, R 2 , R 3 and m are defined as in the description. Their pharmaceutical compositions and their uses for treating cancers are also provided.

  提供了式(I)的化合物，其中X、Y、Z、W、V、R2、R3和m的定义如描述中所述。还提供了它们的药物组合物以及用于治疗癌症的用途。
• Substituted quinazoline compounds and methods of use thereof
  申请人：Araxes Pharma LLC

  公开号：US10246424B2

  公开（公告）日：2019-04-02

  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 R1, R2a, R2b, R2c, R3a, R3b, R4a, R4b, R5a, R5b, R6, A, B, G1, G2, L1, L2, m1, m2, 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.

  本研究提供了具有抑制 G12C 突变 KRAS 蛋白活性的化合物。这些化合物具有以下结构之一 (I)、(II) 或 (III)： 或其药学上可接受的盐、立体异构体或原药，其中 R1、R2a、R2b、R2c、R3a、R3b、R4a、R4b、R5a、R5b、R6、A、B、G1、G2、L1、L2、m1、m2、n、x、y、X 和 E 如本文所定义。还提供了与制备和使用此类化合物相关的方法、包含此类化合物的药物组合物以及调节G12C突变型KRAS蛋白活性以治疗疾病（如癌症）的方法。
• Inhibitors of RAS and methods of use thereof
  申请人：Araxes Pharma LLC

  公开号：US10377743B2

  公开（公告）日：2019-08-13

  Compounds having activity as inhibitors of G12C mutant KRAS protein are provided. The compounds have the following structure (I): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein A, B, R″, Q, W, X, Y, Z, n1, n2 and 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.

  本研究提供了具有抑制 G12C 突变 KRAS 蛋白活性的化合物。这些化合物具有以下结构 (I)： 或其药学上可接受的盐、立体异构体或原药，其中 A、B、R″、Q、W、X、Y、Z、n1、n2 和如本文所定义。还提供了与制备和使用此类化合物相关的方法、包含此类化合物的药物组合物以及调节 G12C 突变 KRAS 蛋白活性以治疗疾病（如癌症）的方法。