3-phenyl-2-thioxooxazolidin-4-one | 35843-32-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-phenyl-2-thioxooxazolidin-4-one
• 英文别名: 3-Phenyl-2-thioxo-oxazolidin-4-on；3-Phenyl-2-thioxo-oxazolidin-4-one；3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
• CAS: 35843-32-4
• 化学式: C₉H₇NO₂S
• 分子量: 193.226
• InChiKey: NONKTMQOPBJHJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-phenyl-2-thioxooxazolidin-4-one 、 sodium ethanolate 生成 O-乙基(苯基氨基)硫代甲酸酯
  参考文献：
  名称：

  Holmberg, Journal fur praktische Chemie (Leipzig 1954), 1911, vol. <2>84, p. 665

  摘要：

  DOI：
• 作为产物：
  描述：

  phenylthiocarbamoyloxy-acetic acid 在 水 作用下， 生成 3-phenyl-2-thioxooxazolidin-4-one
  参考文献：
  名称：

  Holmberg, Journal fur praktische Chemie (Leipzig 1954), 1911, vol. <2>84, p. 665

  摘要：

  DOI：

文献信息

• Discovery of potent and orally bioavailable 17β-hydroxysteroid dehydrogenase type 3 inhibitors
  作者：Koichiro Harada、Hideki Kubo、Jun Abe、Mari Haneta、Arnel Conception、Shinichi Inoue、Satoshi Okada、Kazuhiko Nishioka

  DOI：10.1016/j.bmc.2012.03.052

  日期：2012.5

  and consequently a number of compounds from this series demonstrated single-digit nanomolar 17β-HDS3 inhibitory activity in vitro. Subsequent optimization work in pursuit of the improvement of oral bioavailability demonstrated in vivo proof-of-concept by prodrug strategy based on phosphate esters for these 17β-HSD3 inhibitors. When a phosphate ester 16 was administered orally at a high dose of 100 mg/kg

  先前我们已经报道了衍生自亚苄基恶唑烷二酮和噻唑烷二酮支架的新型3类有效的17β-羟类固醇脱氢酶抑制剂（17β-HSD3）的发现。在这项研究中，这些类似物是在基于人类细胞的分析中进行设计，合成和评估的。建立了围绕该药效团的详细的结构-活性关系（SAR），因此，该系列化合物中的许多化合物在体外均表现出一位数的纳摩尔17β-HDS3抑制活性。为改善口服生物利用度而进行的后续优化工作已通过基于磷酸酯的前药策略针对这些17β-HSD3抑制剂进行了体内概念验证。当以100 mg / kg的高剂量口服磷酸酯16时，图16显示，在促黄体生成激素释放激素（LH-RH）诱导的T产生测定中，相对于阳性对照，有效的睾丸激素（T）降低作用大约两倍。给药后4小时，降低T的作用持续在对照的约10％水平。基于该系列的非甾体分子具有为治疗前列腺癌提供独特而有效的临床机会的潜力。
• Dye sensitized photographic imaging system
  申请人：EASTMAN KODAK COMPANY (a New Jersey corporation)

  公开号：EP0269397A2

  公开（公告）日：1988-06-01

  A photographic imaging system is disclosed comprised of a hardenable organic component containing ethylenic unsaturation sites and capable of imagewise modulating mobility as a function of addition at the sites of ethylenic unsaturation, coinitiators for ethylenic addition and, optionally, an imaging dye or a precursor thereof. The coinitiators include an azinium salt activator and a photosensitizer which is a dye exhibiting a reduction potential which in relation to that of said ionized azinium salt activator is at most 0.1 volt more posi­tive, with the further proviso that, when the photo­sensitizer is a keto dye having its principal absorp­tion peak at a wavelength shorter than 550 nm, it exhibits when excited by imaging radiation an inter­system crossing efficiency to a triplet state of less than 10 percent.

  本发明公开了一种照相成像系统，该系统由含有乙烯不饱和位点的可硬化有机成分、乙烯不饱和位点的加成函数、用于乙烯加成的辅助引发剂以及可选的成像染料或其前体组成。 辅助引发剂包括唑盐活化剂和光敏剂，光敏剂是一种染料，其还原电位与所述电离唑盐活化剂的还原电位相比至多正0.1伏，但进一步的条件是，当光敏剂是一种酮染料时，其主吸收峰的波长短于550纳米，在成像辐射的激发下，其到三重态的系统间交叉效率小于10%。
• Enhanced imaging composition containing an azinium activator
  申请人：EASTMAN KODAK COMPANY (a New Jersey corporation)

  公开号：EP0269398A2

  公开（公告）日：1988-06-01

  An imaging composition is disclosed com­prised of an organic component containing ethylenic unsaturation sites and capable of selective hardening by addition at the sites of ethylenic unsaturation, an azinium salt activator, a photosensitizer having a reduction potential which in relation to the reduc­tion potential of the azinium salt activator is at most 0.1 volt more positive, and an image enhancing amount of benzene substituted with an electron dona­ting amino group and one or more groups capable of imparting a net Hammett sigma value electron with­drawing characteristic of at least +0.20 volt to said benzene ring.

  本发明公开了一种成像组合物，该组合物由含有乙烯不饱和位点并能通过在乙烯不饱和位点上的加成而选择性硬化的有机组分、唑盐活化剂、具有相对于唑盐活化剂的还原电位至多正 0.1 伏的还原电位的光敏剂、以及被供电子氨基和一个或多个能赋予净哈密特西格玛值电子撤回特性至少+0.20 伏的净哈密特西格玛值电子撤回特性的基团取代的苯的图像增强量组成。1伏特的光敏剂，以及用一个电子供体氨基和一个或多个能赋予所述苯环至少+0.20伏特的净哈密特西格玛值电子撤回特性的基团取代的苯的图像增强量。
• Electroluminescent device with modified thin film luminescent zone
  申请人：EASTMAN KODAK COMPANY (a New Jersey corporation)

  公开号：EP0281381A2

  公开（公告）日：1988-09-07

  An electroluminescent device is disclosed having a luminescent zone of less than one µm in thickness comprised of an organic host material capa­ble of sustaining hole-electron recombination and a fluorescent material capable of emitting light in response to energy released by hole-electron recombi­nation.

  本发明公开了一种电致发光器件，该器件具有厚度小于 1 微米的发光区，发光区由能够维持空穴-电子重组的有机主材料和能够响应空穴-电子重组释放的能量而发光的荧光材料组成。
• An optical article containing a transmission medium exhibiting a high level of second order polarization susceptibility
  申请人：EASTMAN KODAK COMPANY (a New Jersey corporation)

  公开号：EP0313475A2

  公开（公告）日：1989-04-26

  An optical article is disclosed containing, for the transmission of electromagnetic radiation, a medium exhibiting a second order polarization susceptibility greater than 10⁻⁹ electrostatic units comprised of polar aligned noncentrosymmetric molecular dipoles having an electron donor moiety linked through a conjugated π bonding system to an electron acceptor moiety to permit oscillation of the molecular dipole between a ground state exhibiting a first dipole moment and an excited state exhibiting a differing dipole moment. The molecular dipoles are held in polar alignment by a crosslinked polymeric binder.

  本发明公开了一种用于传输电磁辐射的光学产品，该产品含有一种介质，该介质显示出大于 10-𠞙 静电单位的二阶偏振电感，该介质由极性排列的非中心对称分子偶极子组成，该分子偶极子具有一个电子供体分子，该电子供体分子通过共轭 π 键系统与一个电子受体分子相连，从而允许分子偶极子在显示第一偶极矩的基态和显示不同偶极矩的激发态之间摆动。分子偶极子通过交联聚合物粘合剂保持极性排列。