entinostat | 209783-83-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: entinostat
• 英文别名: MS-275；N-(2-aminophenyl)-4-[N-(pyridin-2-yl)methoxycarbonylaminomethyl]benzamide；Pyridylmethyl-n-{4-[(2-aminophenyl)-carbamoyl]-benzyl}-carbamate；pyridin-2-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
• CAS: 209783-83-5
• 化学式: C₂₁H₂₀N₄O₃
• 分子量: 376.415
• InChiKey: VJVGSNWYLNTHDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• [EN] ISOFORM-SELECTIVE LYSINE DEACETYLASE INHIBITORS<br/>[FR] INHIBITEURS DE LYSINE DÉSACÉTYLASE SÉLECTIFS ENVERS LES ISOFORMES
  申请人：UNIV WASHINGTON

  公开号：WO2016179398A1

  公开（公告）日：2016-11-10

  Isoform-selective lysine deacetylase inhibitors are described. Inhibitors of the lysine deacetylase enzyme are useful as antitumor drugs and for treating addiction, asthma, cardio-vascular disease, immunosuppression, neurodegenerative diseases, sepsis, sickle-cell disease, uveal melanoma and termination of viral latency, particularly HIV-1 latency.

  描述了选择性异构体赖氨酸去乙酰化酶抑制剂。赖氨酸去乙酰化酶的抑制剂可用作抗肿瘤药物，治疗成瘾、哮喘、心血管疾病、免疫抑制、神经退行性疾病、败血症、镰刀细胞病、葡萄膜黑色素瘤以及终止病毒潜伏，尤其是HIV-1潜伏。
• Cell differentiation inducer
  申请人：Schering Aktiengesellschaft

  公开号：US20040147569A1

  公开（公告）日：2004-07-29

  The novel benzamide derivative represented by formula (1) and the novel anilide derivative represented by formula (13) of this invention has differentiation-inducing effect, and are, therefore, useful a therapeutic or improving agent for malignant tumors, autoimmune diseases, dermatologic diseases and parasitism. In particular, they are highly effective as an anticancer drug, specifically to a hematologic malignancy and a solid carcinoma. 1

  本发明中由公式（1）表示的新型苯甲酰胺衍生物和由公式（13）表示的新型苯胺酰衍生物具有诱导分化的效果，因此可用作恶性肿瘤、自身免疫性疾病、皮肤病和寄生虫治疗或改善剂。特别是，它们对于血液恶性肿瘤和实体癌具有高度的抗癌药物效果。
• New pharmaceutical combination
  申请人：Schuppan Detlev

  公开号：US20050054647A1

  公开（公告）日：2005-03-10

  Pharmaceutical combinations comprising at least one compound of general formula I-A or I-AA, and at lest one compound of general formula II) or Iia), or pharmaceutical combinations comprising at least one compound of general formula I-A or I-AA, and at least one compound of general formula II) or Iia), and an anti-hormone, and their use for the treatment of different diseases resulting by persistent angiogenesis are described.

  本文描述了包含至少一个I-A或I-AA通用式化合物和至少一个II）或Iia）通用式化合物的制药组合物，或包含至少一个I-A或I-AA通用式化合物和至少一个II）或Iia）通用式化合物以及抗激素的制药组合物，并用于治疗由持续血管生成引起的不同疾病。
• TREATMENT OF RETROVIRAL RESERVOIRS EXPLOITING OXIDATIVE STRESS
  申请人：Savarino Andrea

  公开号：US20110305774A1

  公开（公告）日：2011-12-15

  Activation of HIV-1 replication causes oxidative stress, which in turn potentiates HIV-1 replication. The common basis for the compounds of the present invention is: A) the capacity of reactivating HIV-1 from latency, and B) the ability to counteract the cellular machinery which activates in order to limit the effects of oxidative stress. In this way, oxidative stress can be potentiated and a “chain reaction” is sparked. This “chain reaction” induces a more efficient reactivation of HIV-1 from latency and, in some cases, induces selective killing of the infected cells. Actions A) and B) can either be carried out by one drug exerting both effects, or obtained by the combined use of distinct drugs. There are two main cellular machineries counteracting oxidative stress, i.e. the thioredoxin (Trx) thioredoxin reductase (TrxR) system and glutathione. Herein, we present drug strategies capable of exerting action B) by blocking either of the two machineries.

  HIV-1复制的激活会引起氧化应激，从而加强HIV-1的复制。本发明化合物的共同基础是：A）重新激活HIV-1潜伏感染的能力，和B）对抗细胞机制，以限制氧化应激的影响。通过这种方式，氧化应激可以被增强并引发“连锁反应”。这种“连锁反应”诱导更有效的HIV-1潜伏感染的重新激活，并在某些情况下诱导感染细胞的选择性杀死。行动A）和B）可以由一种药物实现两种效果，也可以通过联合使用不同药物获得。对抗氧化应激的两种主要细胞机制是硫氧还蛋白（Trx）硫氧还蛋白还原酶（TrxR）系统和谷胱甘肽。在此，我们提出了能够通过阻断这两种机制之一来实现B）行动的药物策略。
• CELL DIFFERENTIATION INDUCER
  申请人：Suzuki Tsuneji

  公开号：US20100256201A1

  公开（公告）日：2010-10-07

  The novel benzamide derivative represented by formula (1) and the novel anilide derivative represented by formula (13) of this invention has differentiation-inducing effect, and are, therefore useful a therapeutic or improving agent for malignant tumors, autoimmune diseases, dermatologic diseases and parasitism. In particular, they are highly effective as an anticancer drug, specifically to a hematologic malignancy and a solid carcinoma.

  本发明的公式（1）所代表的新型苯甲酰胺衍生物和公式（13）所代表的新型苯酰胺衍生物具有诱导分化的效果，因此可作为治疗或改善恶性肿瘤、自身免疫性疾病、皮肤病和寄生虫病的治疗药物或改善剂。特别是，它们对血液恶性肿瘤和实体癌具有高度的抗癌作用。