4-羟基-1,3-苯并恶硫醇-2-酮 | 95-18-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-羟基-1,3-苯并恶硫醇-2-酮
• 英文名称: 4-hydroxy-1,3(2H)-benzoxathiol-2-one
• 英文别名: 4-Hydroxy-1,3-(2H)-benzoxathiol-2-one；4-hydroxy-1,3-benzoxathiol-2-one
• CAS: 95-18-1
• 化学式: C₇H₄O₃S
• 分子量: 168.173
• InChiKey: NPSJCZBBMWLOLH-UHFFFAOYSA-N

物化性质

• 熔点：
  160 °C(Solv: water (7732-18-5))
• 沸点：
  319.6±44.0 °C(Predicted)
• 密度：
  1.617±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-羟基-1,3-苯并恶硫醇-2-酮 在 sodium hydroxide 作用下， 生成 2-thiopyrogallol
  参考文献：
  名称：

  Bag, Saswati P.; Chopra, Ramesh K., Journal of the Indian Chemical Society, 1984, vol. 61, # 2, p. 159 - 161

  摘要：

  DOI：
• 作为产物：
  描述：

  ammonium thiocyanate 、 间苯二酚 在 sodium carbonate 、 copper(II) sulfate 作用下， 生成 4-羟基-1,3-苯并恶硫醇-2-酮
  参考文献：
  名称：

  Bag, Saswati P.; Chopra, Ramesh K., Journal of the Indian Chemical Society, 1984, vol. 61, # 2, p. 159 - 161

  摘要：

  DOI：

文献信息

• Estrogen receptor modulators
  申请人：——

  公开号：US20030225132A1

  公开（公告）日：2003-12-04

  The present invention relates to compounds and derivatives thereof, their synthesis, and their use as estrogen receptor modulators. The compounds of the instant invention are ligands for estrogen receptors and as such may be useful for treatment or prevention of a variety of conditions related to estrogen functioning including: bone loss, bone fractures, osteoporosis, cartilage degeneration, endometriosis, uterine fibroid disease, hot flashes, increased levels of LDL cholesterol, cardiovascular disease, impairment of cognitive functioning, cerebral degenerative disorders, restenosis, gynecomastia, vascular smooth muscle cell proliferation, obesity, incontinence, and cancer, in particular of the breast, uterus and prostate.

  本发明涉及化合物及其衍生物，它们的合成以及它们作为雌激素受体调节剂的用途。本发明的化合物是雌激素受体的配体，因此可能对治疗或预防与雌激素功能相关的多种疾病条件有用，包括：骨质疏松、骨折、骨质疏松症、软骨退化、子宫内膜异位症、子宫肌瘤病、潮热、低密度脂蛋白胆固醇水平升高、心血管疾病、认知功能障碍、脑退行性疾病、再狭窄、男性乳房增大、血管平滑肌细胞增殖、肥胖、尿失禁和癌症，尤其是乳腺、子宫和前列腺癌。
• [EN] ESTROGEN RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RECEPTEURS D'OESTROGENES
  申请人：MERCK & CO INC

  公开号：WO2003087073A1

  公开（公告）日：2003-10-23

  The present invention relates to compounds and derivatives thereof, their synthesis, and their use as estrogen receptor modulators. The compounds of the instant invention are ligands for estrogen receptors and as such may be useful for treatment or prevention of a variety of conditions related to estrogen functioning including: bone loss, bone fractures, osteoporosis, cartilage degeneration, endometriosis, uterine fibroid disease, hot flashes, increased levels of LDL cholesterol, cardiovascular disease, impairment of cognitive functioning, cerebral degenerative disorders, restenosis, gynecomastia, vascular smooth muscle cell proliferation, obesity, incontinence, and cancer, in particular of the breast, uterus and prostate.

  本发明涉及化合物及其衍生物、它们的合成以及它们作为雌激素受体调节剂的用途。本发明的化合物是雌激素受体的配体，因此可能用于治疗或预防与雌激素功能相关的多种疾病，包括：骨质流失、骨折、骨质疏松症、软骨退化、子宫内膜异位症、子宫肌瘤疾病、潮热、低密度脂蛋白胆固醇水平升高、心血管疾病、认知功能障碍、脑退行性疾病、再狭窄、男性乳房发育、血管平滑肌细胞增殖、肥胖、失禁和癌症，特别是乳腺、子宫和前列腺癌。
• Photoresist underlayer film-forming composition and pattern forming process
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：EP2813891A2

  公开（公告）日：2014-12-17

  In lithography, a composition comprising a novolak resin comprising recurring units of hydroxycoumarin is used to form a photoresist underlayer film. The underlayer film is strippable in alkaline water, without causing damage to ion-implanted Si substrates or SiO2 substrates.

  在光刻技术中，一种由包含羟基香豆素递归单元的酚醛树脂组成的组合物可用于形成光刻胶底层膜。该底层膜可在碱水中剥离，而不会对离子注入硅基底或二氧化硅基底造成损坏。
• Combinations of anti-tissue factor antibodies and anticoagulant and/or antiplatelet agents
  申请人：Genentech, Inc.

  公开号：US20030143225A1

  公开（公告）日：2003-07-31

  The invention concerns anti-tissue factor (anti-TF) antibodies with enhanced anticoagulant potency, and methods and means for identifying, producing and using such antibodies. The anti-TF antibodies of the present invention are designed to bind to an epitope comprising the C-terminal macromolecular substrate binding region of TF. The invention also concerns methods of treating TF-VIIa related diseases or disorders comprising administering anti-TF antibodies alone or in combination with at least one additional anticoagulant and/or anti-platelet agent.

  本发明涉及抗凝效力增强的抗组织因子（anti-TF）抗体，以及鉴定、生产和使用这种抗体的方法和手段。本发明的抗 TF 抗体被设计为与包括 TF C 端大分子底物结合区的表位结合。本发明还涉及治疗TF-VIIa相关疾病或失调的方法，包括单独或与至少一种额外的抗凝剂和/或抗血小板药物联合使用抗TF抗体。
• Antibiotics based upon bacteriophage lysis proteins
  申请人：Young F. Ryland

  公开号：US20050191628A1

  公开（公告）日：2005-09-01

  This invention relates to polypeptide antibiotics, including materials and methods related thereto, based upon the observation that bacteriophage elaborate proteins that cause host cell lysis by interfering with specific steps in cell wall biosynthesis. Examples of antibiotics based upon this invention include the bacteriophage φX174 gene E product and structurally and/or functionally related polypeptide and small protein antibiotics that interact with MraY, and the bacteriophage Qβ gene A 2 product and structurally and/or functionally related polypeptide and small protein antibiotics that interact with MurA. This leads to the general model for obtaining new polypeptide antibiotics by using genetic approaches based on these findings to find polypeptide sequences which cause bacterial cell lysis.

  本发明涉及多肽类抗生素，包括与之相关的材料和方法，其依据是观察到噬菌体通过干扰细胞壁生物合成的特定步骤，精心制作出能导致宿主细胞裂解的蛋白质。基于本发明的抗生素实例包括噬菌体 φX174 基因 E 产物和在结构上和/或功能上与 MraY 相互作用的多肽和小蛋白抗生素，以及噬菌体 Qβ 基因 A 2 产物以及结构和/或功能上相关的多肽和与 MurA 相互作用的小蛋白抗生素。根据这些发现，我们提出了利用基因方法获得新的多肽抗生素的一般模式，以寻找能导致细菌细胞裂解的多肽序列。