3-isobutylisoquinoline | 147356-74-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-isobutylisoquinoline
• 英文别名: 3-isobutyl-isoquinoline；3-Isobutyl-isochinolin；3-(2-methylpropyl)isoquinoline
• CAS: 147356-74-9
• 化学式: C₁₃H₁₅N
• 分子量: 185.269
• InChiKey: VQGJKAHUTMOEPH-UHFFFAOYSA-N

物化性质

• 沸点：
  294.3±9.0 °C(Predicted)
• 密度：
  1.012±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N-methoxy-N,3-dimethylbutanamide 在 ammonium hydroxide 、 2,2,6,6-tetramethylpiperidinyl-lithium 、 溶剂黄146 作用下， 生成 3-isobutylisoquinoline
  参考文献：
  名称：

  Acylation of o-tolualdehyde cyclohexylimines with N-methoxy-N-methylamides (Weinreb's amides). A new synthesis of isoquinolines

  摘要：

  DOI：

  10.1021/jo00061a046

文献信息

• [EN] ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES<br/>[FR] IMIDAZOPYRIDINES À SUBSTITUTION ISOXAZOLYLE
  申请人：CELLCENTRIC LTD

  公开号：WO2016170323A1

  公开（公告）日：2016-10-27

  A compound which is an isoxazolyl imidazopyridine of formula (I): wherein: R0 and R, which are the same or different, are each H or C alkyl; R9' and R9", which are the same or different, are each H or F; X is -(alk)n-, -alk-C(=O)-NR-, -alk-NR-C(=O)- or -alk-C(=O)-; R1 is selected from -S(=O)2R' and a 4- to 7-membered heterocyclic group which is unsubstituted or substituted; R2 and R2', which are the same or different, are each H or C1-6 alkyl; or R2 and R2' form, together with the C atom to which they are attached, a C3-6 cycloalkyl group; R3 and R3', which are the same or different, are each H, C1-6 alkyl, OH or F; R4 is phenyl or a 5- to 12-membered N-containing heteroaryl group and is unsubstituted or substituted; alk is C1-6 alkylene; R' is C1-6 alkyl; and n is 0 or 1; or a pharmaceutically acceptable salt thereof. The compound has activity in modulating the activity of p300 and/or CBP and is used to treat cancer.

  一种具有如下结构的异噁唑基咪唑吡啶化合物（I）：其中：R0和R，相同或不同，各自为H或C烷基；R9'和R9"，相同或不同，各自为H或F；X为-(烷基)n-、-烷基-C(=O)-NR-、-烷基-NR-C(=O)-或-烷基-C(=O)-；R1选自-S(=O)2R'和未取代或取代的4至7成员杂环基；R2和R2'，相同或不同，各自为H或C1-6烷基；或R2和R2'与它们附着的C原子共同形成C3-6环烷基；R3和R3'，相同或不同，各自为H、C1-6烷基、OH或F；R4为苯基或未取代或取代的5至12成员含氮杂环基；烷基为C1-6烷基；R'为C1-6烷基；n为0或1；或其在药学上可接受的盐。该化合物具有调节p300和/或CBP活性的作用，并用于治疗癌症。
• BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS
  申请人：PRELUDE THERAPEUTICS INCORPORATED

  公开号：US20210346405A1

  公开（公告）日：2021-11-11

  The disclosure is directed to, in part, to BCL-2 inhibitors, pharmaceutical compositions comprising the same, as well as methods of their use and preparation.

  该披露涉及部分BCL-2抑制剂，包括含有它们的药物组合物，以及它们的使用和制备方法。
• [EN] ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES<br/>[FR] BENZIMIDAZOLES SUBSTITUÉS PAR UN ISOXAZOLYLE
  申请人：CELLCENTRIC LTD

  公开号：WO2016170324A1

  公开（公告）日：2016-10-27

  A compound which is a benzimidazolyl isoxazole of formula (I): wherein: R0and R, which are the same or different, are each H or C1-6 alkyl; R9, R9 and R9, which are the same or different, are each H or F; X is -(alkn-, -alk-C(=O)-NR-, -alk-NR-C(=O)- or -alk-C(=O)-; R1 is selected from -S(=O)2R'; a 4- to 6-membered, C-linked heterocyclic group which is unsubstituted or substituted; and an N-linked spiro group of the following formula: R2 and R2', which are the same or different, are each H or C1-6 alkyl, or R2 and R2' form, together with the C atom to which they are attached, a C3-6 cycloalkyl group; R3 and R3, which are the same or different, are each H, C1-6 alkyl, OH or F; R4 is phenyl or a 5- to 12-membered, N-containing heteroaryl group and is unsubstituted or substituted; alk is C1-6 alkylene; R' is C1-6 alkyl; and n is 0 or 1; or a pharmaceutically acceptable salt thereof. The compound has activity in modulating the activity of p300 and/or CBP and is used to treat cancer, particularly prostate cancer.

  一种化合物，是一种具有以下结构的苯并咪唑基异唑烷（I）：其中：R0和R，相同或不同，分别为H或C1-6烷基；R9，R9和R9，相同或不同，分别为H或F；X为-(烷基-，-烷基-C(=O)-NR-，-烷基-NR-C(=O)-或-烷基-C(=O)-；R1从-S(=O)2R'，未取代或取代的4-至6-成员的C-连接的杂环基，以及以下式的N-连接的螺环基中选择：R2和R2'，相同或不同，分别为H或C1-6烷基，或者R2和R2'与它们连接的C原子一起形成C3-6环烷基；R3和R3，相同或不同，分别为H，C1-6烷基，OH或F；R4为苯基或未取代或取代的含氮5-至12-成员的杂芳基；烷基为C1-6烷基；R'为C1-6烷基；n为0或1；或其药用盐。该化合物具有调节p300和/或CBP活性的作用，并用于治疗癌症，特别是前列腺癌。
• UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF
  申请人：RAPT THERAPEUTICS, INC.

  公开号：US20210317134A1

  公开（公告）日：2021-10-14

  Disclosed herein, inter alia, compounds and methods of use thereof for the modulation of USP7 activity.

  本公开的内容包括化合物及其使用方法，用于调节USP7活性。
• [EN] UNIVERSAL ABT COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ABT UNIVERSELS ET LEURS UTILISATIONS
  申请人：KLEO PHARMACEUTICALS INC

  公开号：WO2019023501A1

  公开（公告）日：2019-01-31

  Among other things, the present disclosure provides compounds comprising universal antibody binding moieties and targeting moieties. In some embodiments, provided compounds recruit various types of antibodies to diseased cells such as cancer cells, and induce immune activities to kill such cells. Provided technologies are useful for treating various diseases including cancer.

  除其他外，本公开提供了包含通用抗体结合部分和靶向部分的化合物。在某些实施例中，所提供的化合物可以招募各种类型的抗体到疾病细胞，例如癌细胞，并诱导免疫活性以杀死这些细胞。所提供的技术对于治疗各种疾病包括癌症非常有用。