(S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride pentahydrate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 喜树碱
• 英文名称: (S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride pentahydrate
• 英文别名: topotecan monohydrochloride pentahydrate；10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione monohydrochloride pentahydrate；Topotecan hydrochloride hydrate；(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;hydrate;hydrochloride
• 化学式: C₂₃H₂₃N₃O₅*ClH*5H₂O
• 分子量: 547.99
• InChiKey: XVYBIGDRQOMVJX-IFUPQEAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.44
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  104
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride pentahydrate 以 甲醇 为溶剂， 反应 2.0h， 生成 盐酸拓扑替康
  参考文献：
  名称：

  WO2007/42799

  摘要：

  公开号：
• 作为产物：
  描述：

  盐酸拓扑替康 在 盐酸 、 水 作用下， 以 丙酮 为溶剂， 生成 (S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione hydrochloride pentahydrate
  参考文献：
  名称：

  [EN] NOVEL COMPOUND, CORRESPONDING COMPOSITIONS, PREPARATION AND/OR TREATMENT METHODS
  [FR] NOUVEAU COMPOSE, COMPOSITIONS CORRESPONDANTES, METHODES DE FABRICATION ET/OU DE TRAITEMENT

  摘要：

  公开号：

  WO2005046608A3

文献信息

• SELECTIVE EFFLUX INHIBITORS AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATMENT
  申请人：STC.UNM

  公开号：US20150197526A1

  公开（公告）日：2015-07-16

  The present invention provides novel compounds which inhibit cancer-associated transporter proteins, methods of treating or preventing the onset of a cancer-associated transporter protein-mediated disease by administering such compounds, and pharmaceutical compositions comprising such compounds. In one embodiment, the invention provides novel pyrazolo[1,5-a]pyrimidine efflux inhibitors that are selective toward ABCG2 over ABCB1.

  本发明提供了一种新型化合物，其抑制了与癌症相关的转运蛋白，通过给予这些化合物来治疗或预防由癌症相关的转运蛋白介导的疾病的发生，并且包括含有这些化合物的药物组合物。在一种实施例中，该发明提供了新型吡唑[1,5-a]嘧啶外排抑制剂，其对ABCG2比ABCB1更具选择性。
• REGULATION OF GENE EXPRESSION BY MODULATING PRIMARY CILIA LENGTH
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US20190015423A1

  公开（公告）日：2019-01-17

  The presently disclosed subject matter relates to methods of regulating gene expression in a cell by modulating the length of primary cilia of a cell, wherein such modulation can modulate the mechanosensitivity of the cell. The presently disclosed subject matter also provides for methods of treating ciliopathies and osteoporosis in a subject by increasing the length of primary cilia of a cell in a subject.
• Use of DNA Recombination Deficiency Score (RDS) in Cancer Treatment
  申请人：SHUWEN BIOTECH CO., LTD.

  公开号：US20200354796A1

  公开（公告）日：2020-11-12

  The present invention provides a method for treating human cancer, which comprises predicting the sensitivity of tumor cells or tissues in a cancer patient to DNA damage therapy; and administering DNA damage therapy to the cancer patient. The invention also relates to kits to perform the method.
• ANTIVIRAL DRUG COMPOUNDS AND COMPOSITION THEREOF
  申请人：NATIONAL CENTRE FOR CELL SCIENCE

  公开号：US20210196718A1

  公开（公告）日：2021-07-01

  The present invention relates to compounds and pharmaceutical composition having antiviral effects. Over 1200 molecules were screened and 55 molecules having statistically significant anti-HIV activity were identified and selected. The compound Methotrexate (MTX-HYD) and its analogues, the combinations thereof and their combination with other anti-retrovirals were selected for repurposing the compounds as anti-HIV drugs. The present invention may further relate to pharmaceutical composition comprising compounds in combination with active drugs having anti-HIV activity.
• COMPOSITIONS AND METHODS FOR TREATING OCULAR CONDITIONS
  申请人：The Regents of the University of California

  公开号：US20220079899A1

  公开（公告）日：2022-03-17

  Disclosed herein are methods for treating an ocular pathology in a subject, comprising administering to the subject an ENPP1 inhibitor. Also disclosed are methods of inhibiting ATP hydrolysis in ocular tissue, the method comprising contacting the ocular tissue with an ENPP1 inhibitor. Also provided herein are ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) inhibitors and compositions comprising the same.