1-ethyl-3-iodobicyclo[1.1.1]pentane

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机碘化物
• 英文名称: 1-ethyl-3-iodobicyclo[1.1.1]pentane
• 英文别名: 1-Ethyl-3-iodobicyclo[1.1.1]pentane
• 化学式: C₇H₁₁I
• 分子量: 222.069
• InChiKey: QWWFUEXSFHFAQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-ethyl-3-iodobicyclo[1.1.1]pentane 在 盐酸 、 仲丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 环己烷 、 水 、 二甲基亚砜 、 丙酮 为溶剂， 反应 53.17h， 生成 methyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((2-(3-ethylbicyclo[1.1.1]pentan-1-yl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)benzoate
  参考文献：
  名称：

  [EN] BENZAMIDE COMPOUNDS
  [FR] COMPOSÉS BENZAMIDE

  摘要：

  本文提供了化学式(I)的化合物。这些化合物以及其药用盐和组合物可用于治疗疾病或病况，包括由细胞过度增殖引起的病况，如癌症和肿瘤，以及病毒感染如HIV。

  公开号：

  WO2019139902A1
• 作为产物：
  描述：

  1,3-二碘双环[1.1.1]戊烷 在 氢氧化钾 作用下， 以 乙醚 、 苯 为溶剂， 反应 2.5h， 生成 1-ethyl-3-iodobicyclo[1.1.1]pentane
  参考文献：
  名称：

  Formation and Reactions of Bicyclo[1.1.1]pentyl-1 Cations

  摘要：

  The ionization of l-bicyclo[1.1.1]pentyl halides was shown to initially form the 1,3-bridged bicycle[1.1.1]pentyl-l cation. It appears to be a transition state that leads to the bicyclo[1.1.0]butyl-1-carbinyl cation which can be trapped with azide ion and can be directly observed by NMR in SO2CIF. Although the major products of solvolysis of the halides are 3-methylenecyclobutyl derivatives, the corresponding cation was calculated to have a significantly higher energy than the bicyclobutylcarbinyl ion. Therefore, the products are probably formed by an attack of the nucleophile on the latter ion, accompanied by bond migration. The bridgehead iodide reacts under solvolytic conditions with azide ion to form bicyclo[1.1.0]butyl-l azide as a product. It also reacts with potassium hydroxide to give [1.1.1]propellane, and the same reaction occurs on dissolving in acetonitrile or pyridine. The reaction of 1,3-diiodobicyclo[1.1.1]pentane with ethoxide ion also was found to give [1.1.1]propellane via a nucleophilic attack on one of the iodines. The propellane reacts with methyl hypoiodite to give 3-iodobicyclo[1.1.1]pentyl-l cation, which can react with methanol to give 3-methoxybicyclo[1.1.1]pentyl-l iodide and with azide ion to give 3-iodobicyclo[1.1.1]pentyl-1 azide. These data provide evidence for a discrete 3-iodobicyclo[1.1.1]pentyl-l cation intermediate. The effect of substituents on the rate of solvolysis of bicyclo[1.1.1]pentyl-l iodide was studied. With 3-aryl substituents, a value of rho = -1.7 was found, which is similar to that observed in the solvolysis of 3-arylcyclobutyl tosylates (rho = -1.6). The 3-substituted bicyclopentyl halides usually form the corresponding 3-methylenecyclobutyl cations rather than bicyclo[1.1.0]butyl-1-carbinyl ions, because most substituents will help stabilize the former type of ion.

  DOI：

  10.1021/ja00105a046

文献信息

• [EN] BCL-2 PROTEIN INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINE BCL-2
  申请人：RECURIUM IP HOLDINGS LLC

  公开号：WO2021007307A1

  公开（公告）日：2021-01-14

  Various Bcl-2 protein inhibitors are described, along with methods of using them to treat conditions characterized by excessive cellular proliferation, such as cancer and tumors. In various embodiments the Bcl-2 protein inhibitors are compounds or pharmaceutically acceptable salts of the following Formula (I), where the variables in Formula (I) are defined herein.

  描述了各种Bcl-2蛋白抑制剂，以及使用它们治疗过度细胞增殖的疾病的方法，如癌症和肿瘤。在各种实施例中，Bcl-2蛋白抑制剂是以下式（I）的化合物或药用可接受盐，其中式（I）中的变量在此处定义。
• [EN] NANOPARTICLE FORMULATION OF BCL-2 INHIBITOR<br/>[FR] FORMULATION DE NANOPARTICULES D'INHIBITEUR DE LA BCL-2
  申请人：RECURIUM IP HOLDINGS LLC

  公开号：WO2021007303A1

  公开（公告）日：2021-01-14

  Various albumin nanoparticle Bcl-2 inhibitor formulations are described, along with methods of using them to treat conditions characterized by excessive cellular proliferation, such as cancer and tumors. In various embodiments, such Bcl-2 inhibitor formulations contain albumin and a compound of the following Formula (I), or a pharmaceutically acceptable salt thereof, where the variables in Formula (I) are defined herein.

  描述了各种白蛋白纳米颗粒Bcl-2抑制剂配方，以及使用它们治疗由细胞过度增殖所表征的疾病的方法，例如癌症和肿瘤。在各种实施例中，这种Bcl-2抑制剂配方包含白蛋白和以下化合物的化合物（I）或其药用可接受的盐，其中化合物（I）中的变量在此处定义。
• Benzamide compounds
  申请人：Recurium IP Holdings, LLC

  公开号：US11318134B2

  公开（公告）日：2022-05-03

  Compounds of Formula (I) are provided herein. Such compounds, as well as pharmaceutically acceptable salts and compositions thereof, are useful for treating diseases or conditions, including conditions characterized by excessive cellular proliferation, such as cancer and tumors, as well as viral infections such as HIV.

  本研究提供了具有式(I)的化合物。此类化合物、及其药学上可接受的盐和组合物，可用于治疗各种疾病或病症，包括以细胞过度增殖为特征的疾病，如癌症和肿瘤，以及病毒性感染，如HIV。
• BENZAMIDE COMPOUNDS
  申请人：Recurium IP Holdings, LLC

  公开号：US20200339605A1

  公开（公告）日：2020-10-29

  Compounds of Formula (I) are provided herein. Such compounds, as well as pharmaceutically acceptable salts and compositions thereof, are useful for treating diseases or conditions, including conditions characterized by excessive cellular proliferation, such as cancer and tumors, as well as viral infections such as HIV.
• NANOPARTICLE FORMULATION OF BCL-2 INHIBITOR
  申请人：Recurium IP Holdings, LLC

  公开号：US20220273666A1

  公开（公告）日：2022-09-01

  Various albumin nanoparticle Bcl-2 inhibitor formulations are described, along with methods of using them to treat conditions characterized by excessive cellular proliferation, such as cancer and tumors. In various embodiments, such Bcl-2 inhibitor formulations contain albumin and a compound of the following Formula (I), or a pharmaceutically acceptable salt thereof, where the variables in Formula (I) are defined herein.