3-苄基-1,3-恶唑烷-2-硫酮 | 106576-52-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-苄基-1,3-恶唑烷-2-硫酮
• 英文名称: 3-benzyl-1,3-oxazolidine-2-thione
• 英文别名: 3-benzyloxazolidine-2-thione；Benzyloxazolidine-2-thione
• CAS: 106576-52-7
• 化学式: C₁₀H₁₁NOS
• 分子量: 193.269
• InChiKey: XLOGJWMNBWOXJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  44.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-苄基-1,3-恶唑烷-2-硫酮 在 SPhos 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 作用下， 以 甲苯 为溶剂， 反应 4.0h， 以85%的产率得到3-benzylthiazolidin-2-one
  参考文献：
  名称：

  钌催化的O到S烷基的迁移：伪可逆的Barton–McCombie途径

  摘要：

  实际的钌催化的O-至S-烷基迁移可提供优异产率的结构多样的硫代恶唑烷酮。我们的研究表明，这种催化转化是通过伪可逆自由基途径进行的，该途径与经典的Barton-McCombie反应具有相似的机理。

  DOI：

  10.1002/anie.201505280
• 作为产物：
  描述：

  苄基-(2-乙烯基氧基-乙基)-胺 在 硫酸 、 苯甲酰氯 作用下， 以 苯 为溶剂， 反应 4.5h， 生成 3-苄基-1,3-恶唑烷-2-硫酮
  参考文献：
  名称：

  Synthesis of new 3-substituted 1,3-oxazolidine-2-thiones

  摘要：

  Reaction of N-alkylsubstituted ethanolamines with carbon disulfide followed by reaction with benzoyl chloride afforded N-substituted oxazolidine-2-thiones.

  DOI：

  10.1134/s1070363217060299

文献信息

• IDO inhibitors
  申请人：Mautino Mario

  公开号：US10047066B2

  公开（公告）日：2018-08-14

  Presently provided are methods for (a) modulating an activity of indoleamine 2,3-dioxygenase comprising contacting an indoleamine 2,3-dioxygenase with a modulation effective amount of a compound as described in one of the aspects described herein; (b) treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression in a subject in need thereof, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (c) treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine-2,3-dioxygenase comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (d) enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent and a compound as described in one of the aspects described herein; (e) treating tumor-specific immunosuppression associated with cancer comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; and (f) treating immunosuppression associated with an infectious disease, e.g., HIV-I infection, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount a compound as described in one of the aspects described herein.

  目前提供的方法包括：(a) 调节吲哚胺2,3-二氧化酶的活性，包括将吲哚胺2,3-二氧化酶与本文描述的某一方面中描述的化合物的调节有效量接触；(b) 治疗需要吲哚胺2,3-二氧化酶（IDO）介导的免疫抑制的受试者，包括给予本文描述的某一方面中描述的化合物的有效吲哚胺2,3-二氧化酶抑制量；(c) 治疗受益于吲哚胺-2,3-二氧化酶酶活性抑制的医疗状况，包括给予本文描述的某一方面中描述的化合物的有效吲哚胺2,3-二氧化酶抑制量；(d) 增强抗癌治疗的有效性，包括给予抗癌药物和本文描述的某一方面中描述的化合物；(e) 治疗与癌症相关的肿瘤特异性免疫抑制，包括给予本文描述的某一方面中描述的化合物的有效吲哚胺2,3-二氧化酶抑制量；以及(f) 治疗与传染病相关的免疫抑制，例如HIV-I感染，包括给予本文描述的某一方面中描述的化合物的有效吲哚胺2,3-二氧化酶抑制量。
• Reaction of Tri-<i>n</i>-butyltin ω-Haloalkoxide (<i>n</i>-Bu₃SnO(CH₂)<i>_n</i>X) with Isothiocyanate
  作者：Akio Baba、Ikuya Shibata、Hiroki Kashiwagi、Haruo Matsuda

  DOI：10.1246/bcsj.59.341

  日期：1986.1

  Tri-n-butyltin ω-haloalkoxides are useful reagents for the preparation of sulfur-containing five and six-membered cyclic compounds combined with isothiocyanates.

  三正丁基锡ω-卤代烷氧基化合物是制备含硫五元和六元环状化合物与异硫氰酸盐的有用试剂。
• IDO Inhibitors
  申请人：Mautino Mario

  公开号：US20110053941A1

  公开（公告）日：2011-03-03

  Presently provided are methods for (a) modulating an activity of indoleamine 2,3-dioxygenase comprising contacting an indoleamine 2,3-dioxygenase with a modulation effective amount of a compound as described in one of the aspects described herein; (b) treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression in a subject in need thereof, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (c) treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine-2,3-dioxygenase comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (d) enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent and a compound as described in one of the aspects described herein; (e) treating tumor-specific immunosuppression associated with cancer comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; and (f) treating immunosuppression associated with an infectious disease, e.g., HIV-I infection, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount a compound as described in one of the aspects described herein.

  目前提供以下方法：(a) 通过接触本文中描述的化合物的调节有效量与吲哚胺2,3-二氧化酶相互作用，从而调节吲哚胺2,3-二氧化酶的活性；(b) 治疗需要吲哚胺2,3-二氧化酶(IDO)介导的免疫抑制的患者，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量；(c) 治疗需要抑制吲哚胺-2,3-二氧化酶酶活性的医疗状况，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量；(d) 增强抗癌治疗的有效性，包括给予抗癌剂和本文中描述的化合物；(e) 治疗与癌症相关的肿瘤特异性免疫抑制，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量；(f) 治疗与传染病相关的免疫抑制，例如HIV-1感染，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量。
• Hybrid materials and process for production thereof
  申请人：IMPERIAL INNOVATIONS LIMITED

  公开号：US10787542B2

  公开（公告）日：2020-09-29

  The invention relates to inorganic-organic hybrid materials comprising interpenetrated organic and inorganic components, wherein the organic component comprises polymer chains formed at least in part by ring-opening polymerization of a cyclic monomer, and processes for the production thereof.

  本发明涉及由相互渗透的有机成分和无机成分组成的无机-有机杂化材料，其中有机成分包括至少部分由环状单体开环聚合形成的聚合物链，以及其生产工艺。
• Nagao, Yoshimitsu; Inoue, Keiko; Yamaki, Masae, Chemical and pharmaceutical bulletin, 1988, vol. 36, # 11, p. 4293 - 4300
  作者：Nagao, Yoshimitsu、Inoue, Keiko、Yamaki, Masae、Shiro, Motoo、Takagi, Shuzo、Fujita, Eiichi

  DOI：——

  日期：——