methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-1-ene-1-carboxylate | 1449522-62-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 英文名称: methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-1-ene-1-carboxylate
• 英文别名: Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentene-1-carboxylate
• CAS: 1449522-62-6
• 化学式: C₁₃H₂₁BO₄
• 分子量: 252.118
• InChiKey: FYYQTIXVEZANCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-1-ene-1-carboxylate 在 bis-triphenylphosphine-palladium(II) chloride 、 lithium aluminium tetrahydride 、 氯化亚砜 、 铁粉 、 potassium carbonate 、 溶剂黄146 、 N,N-二异丙基乙胺 、 potassium iodide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 26.33h， 生成 7-((4-(2-methyl-6-(methylaminoformyl)pyridin-3-yl)piperazin-1-yl)methyl)-9-fluoro-1,2,3,5-tetrahydro-4H-cyclopenta[c]quinolin-4-one
  参考文献：
  名称：

  [EN] SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF
  [FR] COMPOSÉS TRICYCLIQUES SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE PARP ET LEUR UTILISATION

  摘要：

  Provided are substituted tricyclic compounds as PARP inhibitors and the use thereof. The compounds are represented by Formula (I) as below, wherein, the ring Z, Z1, Z2, A1, A2, A3, L and Cy are defined herein. The compounds of Formula (I) are PARP inhibitors and thus are useful in the treatment of diseases, disorders and conditions, such as cancer, responsive to the inhibition of PARP activity. Provided are also a pharmaceutical composition comprising the compound of Formula (I) and the use of the compound of Formula (I) in the preparation of a medicament for the treatment or prevention of diseases or conditions responsive to the inhibition of PARP activity.

  公开号：

  WO2023025307A1
• 作为产物：
  描述：

  2-甲氧羰基环戊酮 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 16.5h， 生成 methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-1-ene-1-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED TRICYCLIC COMPOUNDS AS PARP INHIBITORS AND USE THEREOF
  [FR] COMPOSÉS TRICYCLIQUES SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE PARP ET LEUR UTILISATION

  摘要：

  Provided are substituted tricyclic compounds as PARP inhibitors and the use thereof. The compounds are represented by Formula (I) as below, wherein, the ring Z, Z1, Z2, A1, A2, A3, L and Cy are defined herein. The compounds of Formula (I) are PARP inhibitors and thus are useful in the treatment of diseases, disorders and conditions, such as cancer, responsive to the inhibition of PARP activity. Provided are also a pharmaceutical composition comprising the compound of Formula (I) and the use of the compound of Formula (I) in the preparation of a medicament for the treatment or prevention of diseases or conditions responsive to the inhibition of PARP activity.

  公开号：

  WO2023025307A1

文献信息

• Iridium(I)-catalyzed C−H Borylation of α,β-Unsaturated Esters with Bis(pinacolato)diboron
  作者：Ikuo Sasaki、Jumpei Taguchi、Hana Doi、Hajime Ito、Tatsuo Ishiyama

  DOI：10.1002/asia.201600078

  日期：2016.5.6

  process has been developed for the iridium(I)‐catalyzed vinylic C−H borylation of α,β‐unsaturated esters with bis(pinacolato)diboron (B2pin2). These reactions proceeded in octane at temperatures in the range of 80–120 °C to afford the corresponding alkenylboronic compounds in high yields with excellent regio‐ and stereoselectivities. The presence of an aryl ester led to significant improvements in the

  已经开发出一种新方法，用于铱（I）催化的α，β-不饱和酯与双（频哪醇）硼（B 2 pin 2）的乙烯基C H硼酸酯化。这些反应在辛烷中于80–120°C的温度范围内进行，以高收率提供相应的链烯基硼化合物，具有出色的区域选择性和立体选择性。芳基酯的存在导致无环烯基硼酸酯的产率显着提高。涉及氘化底物以及立体异构体混合物的交叉实验证实，该反应是通过1,4加成/β-氢化物消除机理进行的。值得注意的是，该反应还用于开发单锅硼化/ Suzuki-Miyaura交叉偶联程序。
• Iridium(i)-catalyzed vinylic C–H borylation of 1-cycloalkenecarboxylates with bis(pinacolato)diboron
  作者：Ikuo Sasaki、Hana Doi、Toshiya Hashimoto、Takao Kikuchi、Hajime Ito、Tatsuo Ishiyama

  DOI：10.1039/c3cc44149k

  日期：——

  Ir(I)-catalyzed C–H borylation of 1-cycloalkenecarboxylic derivatives with bis(pinacolato)diboron affords various alkenylboronates with functional groups in excellent yields. This reaction was also used in a one-pot borylation/Suzuki–Miyaura cross-coupling procedure.

  Ir(I)催化的带有双(频哪醇)二硼的1-环烯羧酸衍生物的C-H硼化反应，以优异的产率得到各种带有功能基团的烯基�硼酸盐。该反应还用于一步法硼化/铃木-宫浦交叉偶联程序。
• 一种PARP1选择性抑制剂及其制备方法和用途
  申请人：上海闻耐医药科技有限公司

  公开号：CN115232129A

  公开（公告）日：2022-10-25

  本发明公开了一种以下式(I)表示的化合物及其药学上可接受的盐，及其制备方法和医药用途。同已公开的化合物相比，本发明的化合物出乎意料的显示了更优的PARP1/DNA复合物和PARP2/DNA复合物捕获能力比，显示了更高的PARP1/PARP2抑制选择性；同时环戊基并环喹啉酮化合物的PARP1/PARP2抑制选择性优于同类环己基并环，环己醚并环、环庚基并环、环戊醚基并环化合物。
• [EN] PARP1 INHIBITORS<br/>[FR] INHIBITEURS DE PARP1
  申请人：[en]SYNNOVATION THERAPEUTICS, INC.

  公开号：WO2023122140A1

  公开（公告）日：2023-06-29

  The present disclosure provides compounds, compositions, and methods useful for inhibiting PARP1, and/or treating a disease, disorder, or condition associated with PARP1, and/or treating cancer.
• [EN] MULTICYCLIC COMPOUNDS<br/>[FR] COMPOSÉS MULTICYCLIQUES
  申请人：[en]SLAP PHARMACEUTICALS LLC

  公开号：WO2023133413A1

  公开（公告）日：2023-07-13

  Provided herein are compounds of Formula (I), or pharmaceutically acceptable salts thereof, pharmaceutical compositions that include a compound described herein (including pharmaceutically acceptable salts of a compound described herein) and methods of synthesizing the same. Also provided herein are methods of treating diseases and/or conditions with a compound of Formula (I), or a pharmaceutically acceptable salt thereof.