(5R,8S,11S)-8-propan-2-yl-11-[(E)-4-sulfanylbut-1-enyl]-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-triene-6,9,13-trione | 1132667-59-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (5R,8S,11S)-8-propan-2-yl-11-[(E)-4-sulfanylbut-1-enyl]-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-triene-6,9,13-trione
• CAS: 1132667-59-4
• 化学式: C₂₀H₂₆N₄O₄S₃
• 分子量: 482.649
• InChiKey: GTCGEPCKMHVCNB-DELAHRCKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  164
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  在 三异丙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以0.022 g的产率得到(5R,8S,11S)-8-propan-2-yl-11-[(E)-4-sulfanylbut-1-enyl]-10-oxa-3,17-dithia-7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-triene-6,9,13-trione
  参考文献：
  名称：

  Synthesis and Histone Deacetylase Inhibitory Activity of Largazole Analogs: Alteration of the Zinc-Binding Domain and Macrocyclic Scaffold

  摘要：

  Fourteen analogs of the marine natural product largazole have been prepared and assayed against histone deacetylases (HDACs) 1, 2, 3, and 6. Olefin cross-metathesis was used to efficiently access six variants of the side-chain zinc-binding domain, while adaptation of our previously reported modular synthesis allowed probing of the macrocyclic cap group.

  DOI：

  10.1021/ol900078k

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。
• Isoform-selective lysine deacetylase inhibitors
  申请人：WASHINGTON UNIVERSITY

  公开号：US10421778B2

  公开（公告）日：2019-09-24

  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.

  介绍了具有同工酶选择性的赖氨酸脱乙酰酶抑制剂。赖氨酸去乙酰化酶抑制剂可用作抗肿瘤药物和治疗成瘾、哮喘、心血管疾病、免疫抑制、神经退行性疾病、败血症、镰状细胞病、葡萄膜黑色素瘤和终止病毒潜伏期，特别是 HIV-1 潜伏期。
• TREATMENT OF PARASITIC DISEASES USING KDAC INHIBITOR COMPOUNDS
  申请人：Washington University

  公开号：US20170035759A1

  公开（公告）日：2017-02-09

  Methods of using KDAC inhibitor compounds for the treatment of various parasitic diseases are described.
• COMPOSITIONS AND METHODS FOR TREATING HIV-1 LATENCY
  申请人：Barnes Alexander B.

  公开号：US20190290621A1

  公开（公告）日：2019-09-26

  Pharmaceutical compositions comprising a combination of a Class I isoform-selective histone deacetylase inhibitor and a protein kinase C modulator are described as well as methods of using these compositions for treating HIV-1 latency.
• US9186402B2
  申请人：——

  公开号：US9186402B2

  公开（公告）日：2015-11-17