endocarbomethoxy-2 bicyclo<2.2.2>octanone-5 | 78478-61-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: endocarbomethoxy-2 bicyclo<2.2.2>octanone-5
• 英文别名: methyl 5-oxobicyclo[2.2.2]octane-2-carboxylate；endocarbomethoxy-2 bicyclo[2.2.2]octanone-5
• CAS: 78478-61-2
• 化学式: C₁₀H₁₄O₃
• 分子量: 182.219
• InChiKey: DOPKSKFPVYAYCF-UHFFFAOYSA-N

物化性质

• 沸点：
  271.3±33.0 °C(Predicted)
• 密度：
  1.160±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  endocarbomethoxy-2 bicyclo<2.2.2>octanone-5 在 platinum(IV) oxide 4 A molecular sieve 、 氢气 作用下， 反应 114.75h， 生成 (1S,3S,6R,8S,10R)-4-Benzyl-10-hydroxy-4-aza-tricyclo[4.4.0.0^3,8]decan-5-one
  参考文献：
  名称：

  Transformations microbiologiques-3

  摘要：

  DOI：

  10.1016/s0040-4020(01)91182-2
• 作为产物：
  描述：

  2-环己烯-1-酮 、 丙烯酸甲酯（MA） 在 正丁基锂 、 N,N-二异丙基乙胺 作用下， 以 乙醚 、 四氢呋喃 为溶剂， 以46.16 %的产率得到endocarbomethoxy-2 bicyclo<2.2.2>octanone-5
  参考文献：
  名称：

  Menin抑制剂及其用途

  摘要：

  本发明提供了一类式I所示的化合物，具有Menin‑MLL蛋白‑蛋白相互作用抑制活性以及细胞增殖抑制活性。本发明还提供了其在治疗癌症和由Menin‑MLL相互作用介导的其它疾病中的用途。

  公开号：

  CN116375707A

文献信息

• [EN] IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDINE UTILISABLES EN TANT QUE MODULATEURS DE L'ACTIVITÉ TNF
  申请人：UCB PHARMA SA

  公开号：WO2014009295A1

  公开（公告）日：2014-01-16

  A series of imidazo[l,2-a]pyridine derivatives of formula (I), being potent modulators of human TNFa activity, are accordingly of benefit in the treatment and/or prevention of various human ailments, including autoimmune and inflammatory disorders; neurological and neurodegenerative disorders; pain and nociceptive disorders; cardiovascular disorders; metabolic disorders; ocular disorders; and oncological disorders.

  一系列式(I)的咪唑并[1,2-a]吡啶衍生物，作为人类TNFa活性的有效调节剂，因此在治疗和/或预防各种人类疾病方面具有益处，包括自身免疫和炎症性疾病；神经学和神经退行性疾病；疼痛和伤害感知性疾病；心血管疾病；代谢性疾病；眼科疾病；以及肿瘤学疾病。
• [EN] NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES<br/>[FR] NOUVEAUX COMPOSÉS TRICYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS D'ENZYMES IDH MUTANTES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016089830A1

  公开（公告）日：2016-06-09

  The present invention is directed to tricyclic compounds of formula (I) which are inhibitors of one or more mutant IDH enzymes (I); wherein A is -C(R1)= or -N=; and X is selected from the group consisting of: (II-i), and (II-ii). The present invention is also directed to uses of the tricyclic compounds described herein in the potential treatment or prevention of cancers in which one or more mutant IDH enzymes are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such cancers.

  本发明涉及式(I)的三环化合物，其为一种或多种突变IDH酶的抑制剂；其中A为-C(R1)=或-N=；X从以下组中选择：(II-i)和(II-ii)。本发明还涉及所述三环化合物在潜在治疗或预防涉及一种或多种突变IDH酶的癌症中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗此类癌症中的用途。
• [EN] NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES<br/>[FR] NOUVEAUX COMPOSÉS TRICYCLIQUES COMME INHIBITEURS D'ENZYMES IDH MUTANTES
  申请人：MERCK SHARP & DOHME

  公开号：WO2016089833A1

  公开（公告）日：2016-06-09

  The present invention is directed to tricyclic compounds of formula (I) which are inhibitors of one or more mutant IDH enzymes: (I); wherein A is -C(R1)= or -N=; and X is selected from the group consisting of: (II-i), (II-ii), (II-iii), and (II-iv). The present invention is also directed to uses of the tricyclic compounds described herein in the potential treatment or prevention of cancers in which one or more mutant IDH enzymes are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such cancers.

  本发明涉及式(I)的三环化合物，这些化合物是一种或多种突变IDH酶的抑制剂：(I)；其中A为-C(R1)=或-N=；X选自以下组中的一种：(II-i)、(II-ii)、(II-iii)和(II-iv)。本发明还涉及所述三环化合物在潜在治疗或预防涉及一种或多种突变IDH酶的癌症中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗此类癌症中的用途。
• Microbiological transformations 2. Hydroxylations of non activated carbons in globular type amides.
  作者：R. Furstoss、A. Archelas、B. Waegell、J. Le Petit、L. Deveze

  DOI：10.1016/0040-4039(81)80121-9

  日期：1981.1

  This paper describes the regioselective biohydroxylation of 7-azabrendane and 6-azatwistane derivatives.

  本文介绍了7-氮杂布丁烷和6-氮杂异丁烷衍生物的区域选择性生物羟基化作用。
• Heterocyclic sulfonamides as inhibitors of ion channels
  申请人：Marron Brian Edward

  公开号：US08357711B2

  公开（公告）日：2013-01-22

  The invention is directed to compounds of the formula in which R5, R6 B and Z are defined supra.

  该发明涉及公式中R5、R6、B和Z所定义的化合物。