Benzothienopyrimidinone deriv., 3a

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: Benzothienopyrimidinone deriv., 3a
• 英文别名: 8-chloro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
• 化学式: C₁₀H₅ClN₂OS
• 分子量: 236.681
• InChiKey: VBWMRLIUGGFJGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Benzothienopyrimidinone deriv., 3a 在 三氯氧磷 作用下， 反应 10.0h， 以28%的产率得到4,8-dichloro[1]benzothio[3,2-d]pyrimidine
  参考文献：
  名称：

  [EN] COMPOUND, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE
  [FR] COMPOSÉ, ÉLÉMENT ÉLECTROLUMINESCENT, DISPOSITIF D'AFFICHAGE, DISPOSITIF ÉLECTRONIQUE ET DISPOSITIF D'ÉCLAIRAGE

  摘要：

  该化合物包括苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架、第一取代基和第二取代基。第一取代基和第二取代基中的每一个都包括呋喃骨架、噻吩骨架或吡咯骨架。第一取代基与包括在苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架中的嘧啶环键结合。第二取代基与包括在苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架中的苯环键结合。光发射元件包括该化合物。

  公开号：

  WO2017109637A1
• 作为产物：
  描述：

  5-氯-2-氟苯腈 以 formamide 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.5h， 生成 Benzothienopyrimidinone deriv., 3a
  参考文献：
  名称：

  [EN] COMPOUND, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE
  [FR] COMPOSÉ, ÉLÉMENT ÉLECTROLUMINESCENT, DISPOSITIF D'AFFICHAGE, DISPOSITIF ÉLECTRONIQUE ET DISPOSITIF D'ÉCLAIRAGE

  摘要：

  该化合物包括苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架、第一取代基和第二取代基。第一取代基和第二取代基中的每一个都包括呋喃骨架、噻吩骨架或吡咯骨架。第一取代基与包括在苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架中的嘧啶环键结合。第二取代基与包括在苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架中的苯环键结合。光发射元件包括该化合物。

  公开号：

  WO2017109637A1

文献信息

• PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS
  申请人：Wang Le

  公开号：US20090030196A1

  公开（公告）日：2009-01-29

  Inhibitors of Pim kinases, ways to make them and methods of treating patients using them are disclosed.

  本发明揭示了抑制Pim激酶的抑制剂、制备方法以及使用它们治疗患者的方法。
• Compound, light-emitting element, display device, electronic device, and lighting device
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US11088332B2

  公开（公告）日：2021-08-10

  A compound includes a benzofuropyrimidine skeleton or a benzothienopyrimidine skeleton, a first substituent, and a second substituent. Each of the first substituent and the second substituent includes a furan skeleton, a thiophene skeleton, or a pyrrole skeleton. The first substituent is bonded to a pyrimidine ring included in the benzofuropyrimidine skeleton or a pyrimidine ring included in the benzothienopyrimidine skeleton. The second substituent is bonded to a benzene ring included in the benzofuropyrimidine skeleton or a benzene ring included in the benzothienopyrimidine skeleton. The light-emitting element includes the compound.

  一种化合物包括苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架、第一取代基和第二取代基。第一取代基和第二取代基中的每一个都包括呋喃骨架、噻吩骨架或吡咯骨架。第一取代基与包括在苯并呋喃嘧啶骨架中的嘧啶环或包括在苯并噻吩嘧啶骨架中的嘧啶环键合。第二个取代基与苯并呋喃嘧啶骨架中的苯环或苯并噻吩嘧啶骨架中的苯环键合。发光元件包括化合物。
• Discovery of 3<i>H</i>-Benzo[4,5]thieno[3,2-<i>d</i>]pyrimidin-4-ones as Potent, Highly Selective, and Orally Bioavailable Inhibitors of the Human Protooncogene Proviral Insertion Site in Moloney Murine Leukemia Virus (PIM) Kinases
  作者：Zhi-Fu Tao、Lisa A. Hasvold、Joel D. Leverson、Edward K. Han、Ran Guan、Eric F. Johnson、Vincent S. Stoll、Kent D. Stewart、Geoff Stamper、Nirupama Soni、Jennifer J. Bouska、Yan Luo、Thomas J. Sowin、Nan-Horng Lin、Vincent S. Giranda、Saul H. Rosenberg、Thomas D. Penning

  DOI：10.1021/jm900943h

  日期：2009.11.12

  Pim-1, Pim-2, and Pim-3 are a family of serine/threonine kinases which have been Found to be overexpressed in a variety of hematopoietic malignancies and solid tumors. Benzothienopyrimidinones were discovered as a novel class of Pim inhibitors that potently inhibit all three Pim kinases with subnanomolar to low single-digit nanomolar K-i values and exhibit excellent selectivity against a panel of diverse kinases. Protein crystal structures of the bound Pim-1 complexes of benzothienopyrimidinones 3b (PDB code 3JYA), 6e (PDB code 3JYO), and 12b (PDB code 3JXW) were determined and used to guide SAR studies. Multiple compounds exhibited potent antiproliferative activity in K562 and MV4-11 cells with submicromolar EC50 values. For example, compound 14j inhibited the growth of K562 cells with an EC50 value of 1.7 mu M and showed K-i values of 2, 3, and 0.5 nM against Pim-1, Pim-2, and Pim-3, respectively. These novel Pim kinase inhibitors efficiently interrupted the phosphorylation of Bad in both K562 and LnCaP-Bad cell lines, indicating that their potent biological activities are mechanism-based. The pharmacokinetics of 14j was studied in CD-1 mice and shown to exhibit bioavailability of 76% after oral dosing. ADME profiling of 14j suggested a long half-life in both human and mouse liver microsomes, good permeability, modest protein bin-ling, and no CYP inhibition below 20 mu M concentration.
• Compound, Light-Emitting Element, Display Device, Electronic Device, and Lighting Device
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20170186971A1

  公开（公告）日：2017-06-29

  A compound includes a benzofuropyrimidine skeleton or a benzothienopyrimidine skeleton, a first substituent, and a second substituent. Each of the first substituent and the second substituent includes a furan skeleton, a thiophene skeleton, or a pyrrole skeleton. The first substituent is bonded to a pyrimidine ring included in the benzofuropyrimidine skeleton or a pyrimidine ring included in the benzothienopyrimidine skeleton. The second substituent is bonded to a benzene ring included in the benzofuropyrimidine skeleton or a benzene ring included in the benzothienopyrimidine skeleton. The light-emitting element includes the compound.
• [EN] COMPOUND, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE<br/>[FR] COMPOSÉ, ÉLÉMENT ÉLECTROLUMINESCENT, DISPOSITIF D'AFFICHAGE, DISPOSITIF ÉLECTRONIQUE ET DISPOSITIF D'ÉCLAIRAGE
  申请人：SEMICONDUCTOR ENERGY LAB

  公开号：WO2017109637A1

  公开（公告）日：2017-06-29

  A compound includes a benzofuropyrimidine skeleton or a benzothienopyrimidine skeleton, a first substituent, and a second substituent. Each of the first substituent and the second substituent includes a furan skeleton, a thiophene skeleton, or a pyrrole skeleton. The first substituent is bonded to a pyrimidine ring included in the benzofuropyrimidine skeleton or a pyrimidine ring included in the benzothienopyrimidine skeleton. The second substituent is bonded to a benzene ring included in the benzofuropyrimidine skeleton or a benzene ring included in the benzothienopyrimidine skeleton. The light-emitting element includes the compound.

  该化合物包括苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架、第一取代基和第二取代基。第一取代基和第二取代基中的每一个都包括呋喃骨架、噻吩骨架或吡咯骨架。第一取代基与包括在苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架中的嘧啶环键结合。第二取代基与包括在苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架中的苯环键结合。光发射元件包括该化合物。