硫酸苯酯 | 937-34-8

• 物质功能分类: 有机原料 - 无机酸酯
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 中文名称: 硫酸苯酯
• 英文名称: phenol sulfate
• 英文别名: Phenylsulfat；phenyl sulfate；Phenylschwefelsaeure；Phenyl hydrogen sulfate
• CAS: 937-34-8
• 化学式: C₆H₆O₄S
• 分子量: 174.177
• InChiKey: CTYRPMDGLDAWRQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.508±0.06 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜：17.4mg/mL；水：37.75mg/mL
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2906299090

制备方法与用途

苯基硫酸盐是一种具有口服活性的肠道微生物衍生代谢物，能够诱导糖尿病实验模型中的蛋白尿和足细胞损伤。因此，苯基硫酸盐可作为糖尿病肾病的疾病标志物，并有望成为未来治疗的靶点。

反应信息

• 作为反应物：
  描述：

  硫酸苯酯 在 alkaline phosphatase 作用下， 以 various solvent(s) 为溶剂， 生成 sodium phenoxide
  参考文献：
  名称：

  Do Electrostatic Interactions with Positively Charged Active Site Groups Tighten the Transition State for Enzymatic Phosphoryl Transfer?

  摘要：

  The effect of electrostatic interactions on the transition-state character for enzymatic phosphoryl transfer has been a subject of much debate. In this work, we investigate the transition state for alkaline phosphatase (AP) using linear free-energy relationships (LIFERs). We determined k(cat)/K-M for a series of aryl sulfate ester monoanions to obtain the Bronsted coefficient, beta(lg)., and compared the value to that obtained previously for a series of aryl phosphorothioate ester dianion substrates. Despite the difference in substrate charge, the observed Bronsted coefficients for AP-catalyzed aryl sulfate and aryl phosphorothioate hydrolysis (-0.76 +/- 0.14 and -0.77 +/- 0.10, respectively) are strikingly similar, with steric effects being responsible for the uncertainties in these values. Aryl sulfates and aryl phosphates react via similar loose transition states in solution. These observations suggest an apparent equivalency of the transition states for phosphorothioate and sulfate hydrolysis reactions at the AP active site and, thus, negligible effects of active site electrostatic interactions on charge distribution in the transition state.

  DOI：

  10.1021/ja0480421
• 作为产物：
  描述：

  sodium phenoxide 在 1,4-二氧六环 、 三氧化硫 、 1,2-二氯乙烷 作用下， 生成 硫酸苯酯
  参考文献：
  名称：

  Creep behavior of in situ dual-scale particles-TiB whisker and TiC particulate-reinforced titanium composites

  摘要：

  采用反应热压技术，从 B4C-Ti 体系中制造出了由原位双尺度颗粒、高谱比 TiB 晶须和细 TiC 颗粒增强的钛复合材料。这种复合材料的应力指数为 4.5-4.6，蠕变活化能为 298 kJ/mol。相比之下，未增强的钛的应力指数为 5.2-5.3，蠕变活化能为 259 kJ/mol。在所研究的蠕变速率下，复合钛和未增强钛的应力指数均未随蠕变速率的变化而变化。复合材料的抗蠕变性比未增强钛高出一个数量级以上。载荷传递机制是造成这一结果的原因。复合材料和未增强钛的蠕变都是由钛基体中的晶格扩散控制的。

  DOI：

  10.1557/jmr.2002.0338
• 作为试剂：
  描述：

  甲酸 、 2,7-anhydro-3-deoxy-α-D-manno-2-octulofuranosonic acid 在 硫酸苯酯 作用下， 反应 1.0h， 生成 5-(D-erythro-1,2,3-trihydroxypropyl)-2-furoic acid
  参考文献：
  名称：

  3-deoxy-d-manno-oct-2-ulosonic acid（KDO）在稀酸中的反应

  摘要：

  摘要在稀酸中加热时，将3-deoxy-d-manno-oct-2-ulosonic acid（KDO）转化为2,7-anhydro-3-deoxy-α-d-manno-2-octulofuranosonicacid和5- （d-赤型-1,2,3-三氢丙基）-2-糠酸。前者与高碘酸-硫代巴比妥酸和氨基脲不反应，其形成解释了脂多糖中KDO的估算值降低。糠酸的形成可导致使用氨基脲测定法的高估计值。两种产物都不能由5-O-糖基-KDO形成。

  DOI：

  10.1016/0008-6215(87)80073-3

文献信息

• [EN] COMPOSITIONS AND METHODS FOR TARGETING METASTATIC TUMORS USING MULTIVALENT LIGAND-LINKED CARBOHYDRATE POLYMERS<br/>[FR] COMPOSITIONS ET METHODES PERMETTANT DE CIBLER DES TUMEURS METASTATIQUES A L'AIDE DE POLYMERES MULTIVALENTS CARBOHYDRATES LIES A UN LIGAND
  申请人：PRO PHARMACEUTICALS INC

  公开号：WO2005092097A1

  公开（公告）日：2005-10-06

  Disclosed herein are compositions comprising a drug linked to a multivalent ligand polysaccharide and the use of this composition in the prevention and treatment of cancer. In one aspect, the polysaccharide is obtained by physical and chemical treatment of naturally occurring polymers or semi synthetic polymers which are bridged specifically with one or more anti-cancer chemotherapeutic agents. Another aspect is directed to the effective delivery of the polysaccharide together with the chemotherapeutic agent to diseased tissue including cancerous tissue.

  本文披露了包含药物与多价配体多糖相连的组合物，以及该组合物在预防和治疗癌症中的用途。在一个方面，该多糖是通过对天然聚合物或半合成聚合物进行物理和化学处理获得的，这些聚合物特异地与一个或多个抗癌化疗药物相桥接。另一个方面涉及将多糖与化疗药物有效地输送到包括癌组织在内的患病组织。
• [EN] DETECTION OF MYCOBACTERIA<br/>[FR] DÉTECTION DE MYCOBACTÉRIES
  申请人：ISIS INNOVATION

  公开号：WO2011030160A1

  公开（公告）日：2011-03-17

  A method for determining the presence of mycobacteria species in an organism or biological sample, the method comprising adding to the organism or biological sample a probe molecule comprising a substrate and a label, which probe molecule can be incorporated into mycobacteria, the presence of mycobacteria being determined by a detector responsive to the presence of the label, optionally after applying a stimulus; suitable probe molecules include compounds comprising a label and a substrate, which label is can be detected by a detector responsive to the presence of the label, optionally after applying a stimulus, characterised by compound being able to engage with the active site of Antigen 85B (Ag85B) such that it can form simultaneous hydrogen bonds with two or more amino acids in the active site selected from Arg 43, Trp 264, Ser126, His 262 and Leu 42, or the corresponding amino acids in Antigen 85A (Ag85A) or Antigen 85C (Ag85C), at least one of which is with Ser126.

  一种用于确定生物体或生物样本中结核分枝杆菌种类存在的方法，该方法包括向生物体或生物样本中添加一种探针分子，该探针分子包括底物和标记，该探针分子可以被结核分枝杆菌所吸收，通过对标记的存在做出反应的探测器确定结核分枝杆菌的存在，可选地，在施加刺激后进行；适用的探针分子包括包含标记和底物的化合物，该标记可以被对标记的存在做出反应的探测器检测到，可选地，在施加刺激后进行，其特征在于该化合物能够与抗原85B（Ag85B）的活性位点结合，从而能够与所选活性位点中的两个或更多氨基酸同时形成氢键，所选活性位点包括Arg 43、Trp 264、Ser126、His 262和Leu 42，或者抗原85A（Ag85A）或抗原85C（Ag85C）中对应的氨基酸，其中至少一个与Ser126形成氢键。
• TWISTED PI-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES
  申请人：Marks Tobin J.

  公开号：US20100273919A1

  公开（公告）日：2010-10-28

  Unconventional twisted π-electron system electro-optic (EO) chromophores/compounds, compositions and related device structures. Crystallographic analysis of several non-limiting chromophores reveals, for instance, large ring-ring dihedral twist angles and a highly charge-separated zwitterionic structure in the ground state, in both solution phase and solid-state.

  非传统扭曲的π-电子体系电光（EO）色团/化合物，组成和相关器件结构。对几种非限制性色团的晶体学分析显示，例如在溶液相和固态中，存在大的环-环二面角扭转角和高度电荷分离的带电离子结构。
• N-(2-SUBSTITUTED PHENYL)-N-METHOXYCARBAMATES AND THEIR PREPARATION AND USE THEREOF
  申请人：Yang Chunhe

  公开号：US20090048309A1

  公开（公告）日：2009-02-19

  The present invention belongs to the field of agricultural fungicide and in particular disclosed N-(2-substituted phenyl)-N-methoxycarbamates and their preparation as well as use. Compounds according to the present invention are shown as the general formula I. Compounds according to the present invention have very good fungicidal activities and can be used for the control of plant fungicidal diseases, such as wheat powdery mildew, melon powdery mildew, apple powdery mildew, grape powdery mildew, strawberry powdery mildew, wheat rust, soybean rust, wheat Pythium root rot, cucumber Alternaria blight, rice “bakanae” disease, rice sheath blight, cucumber Fusarium wilt, cucumber anthracnose, rice blast, rice false smut, corn southern leaf blight.

  本发明属于农用杀菌剂领域，具体公开了N-(2-取代苯基)-N-甲氧基甲酸酯及其制备和用途。根据本发明的化合物显示为通式I。 根据本发明的化合物具有非常好的杀菌活性，可用于控制植物真菌病害，如小麦白粉病、甜瓜白粉病、苹果白粉病、葡萄白粉病、草莓白粉病、小麦锈病、大豆锈病、小麦疫霉根腐病、黄瓜交链孢病、水稻“白菌病”、水稻叶鞘枯病、黄瓜枯萎病、黄瓜炭疽病、水稻稻瘟病、水稻假烟瘿病、玉米南部叶枯病。
• [EN] SYNTHETIC OLIGOSACCHARIDE GROUP A STREPTOCOCCUS<br/>[FR] STREPTOCOQUE DU GROUPE A À BASE D'OLIGOSACCHARIDES SYNTHÉTIQUES
  申请人：ANCORA PHARMACEUTICALS INC

  公开号：WO2012082635A1

  公开（公告）日：2012-06-21

  The present invention provides novel synthetic poly-L-rhamnose oligosaccharides, compositions containing the same, and methods of preventing Group A Streptococcus infections.

  本发明提供了新型的合成聚-L-鼠李糖寡糖，含有该寡糖的组合物，以及预防A群链球菌感染的方法。