2-hydroxy-3-(4-hydroxy-3-nitro-phenyl)-propionic acid | 99358-35-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2-hydroxy-3-(4-hydroxy-3-nitro-phenyl)-propionic acid
• 英文别名: 2-Hydroxy-3-(4-hydroxy-3-nitro-phenyl)-propionsaeure；2-Hydroxy-3-(4-hydroxy-3-nitrophenyl)propanoic acid
• CAS: 99358-35-7
• 化学式: C₉H₉NO₆
• 分子量: 227.174
• InChiKey: ZXWKIFIDQMWMKY-UHFFFAOYSA-N

物化性质

• 沸点：
  459.5±40.0 °C(Predicted)
• 密度：
  1.605±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  DL-4-羟基苯乳酸 在 硝酸 作用下， 生成 2-hydroxy-3-(4-hydroxy-3-nitro-phenyl)-propionic acid
  参考文献：
  名称：

  AM1 computational study on metabolites of 1,3-butadiene interstrand cross-linking DNA

  摘要：

  The alkylating reactions of 1,2-epoxy-3,4-butene (EB) and 1,2,3,4-diepoxybutane (DEB)-the important metabolites of rodent carcinogenic 1,3-butadiene, with adenine and cytosine and interaction with fragment of DNA on major groove-have been computed. Results show that there are little differences in activation energy between EB and DEB, so it is difficult to explain the fact that the mutagenicity of DEB is greater (about 100-fold) than that of EB by the ability of alkylation. It is also known that DEB can interstrand cross-link with DNA through two times alkylating reactions, whereas EB cannot. So this may contribute to the significant different genotoxicity of the two agents. Meanwhile, DEB can interstrand cross-link with many sequences of DNA in major groove vs. two in minor groove, which increases opportunity of interstrand cross-link with DNA in major groove. This difference may be the reason of base selection of DEB mutation. The deformation of some cross-linked DNA may also contribute to this selection to some degree.

  DOI：

  10.1007/bf02884674

文献信息

• 2-hydroxy-3 - (4-hydroxy-3-sulfonamidophenyl) - propylamines useful as beta 3 adrenergic agonists
  申请人：——

  公开号：US20020026065A1

  公开（公告）日：2002-02-28

  Compounds are provided having the formula 1 including pharmaceutically acceptable salts thereof, wherein R 1 is lower alkyl, aryl or arylalkyl; A is hydrogen or 2 B is hydrogen, alkyl, alkenyl, or 3 but when A is hydrogen, B may only be 4 R 2 , R 2′ , R 2″ , R 3 R 3′ and R 3″ are as defined herein; m is 0−3. These compounds possess activity at the beta 3 adrenergic receptor in mammals and are useful in the treatment of diabetes, obesity, depression, achalasia and intestinal hypermotility disorders.

  提供一种化合物，其化学式为1，包括其药学上可接受的盐，其中R1为较低的烷基、芳基或芳基烷基；A为氢或2；B为氢、烷基、烯基或3，但当A为氢时，B只能为4；R2、R2'、R2''、R3、R3'和R3''的定义如本文所述；m为0-3。这些化合物在哺乳动物的β3肾上腺素能受体具有活性，可用于治疗糖尿病、肥胖症、抑郁症、食管失弛缓症和肠道过度运动障碍。
• Processes and host cells for genome, pathway, and biomolecular engineering
  申请人：enEvolv, Inc.

  公开号：US10370654B2

  公开（公告）日：2019-08-06

  The present disclosure provides compositions and methods for genomic engineering.

  本公开提供了基因组工程的组合物和方法。
• PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING
  申请人：enEvolv, Inc.

  公开号：EP3027754A1

  公开（公告）日：2016-06-08
• Compositions for Regulating Homeostasis of Cortisol and Improving Sleep Quality and Methods of Use and Production Thereof
  申请人：Unigen, Inc.

  公开号：US20220387366A1

  公开（公告）日：2022-12-08

  Compositions used and methods are disclosed for regulation of homeostasis of host cortisol and improving sleep quality including a composition derived from enriched for one or more phenylpropanoid acids and benzoxazinoids or extracts that are enriched for one or more phenylpropanoid acids and benzoxazinoids. Compositions of enriched for one or more phenylpropanoid acids and benzoxazinoids maintain homeostasis of host stress hormone, cortisol, selectively binds to MT2 over MT1 receptor, improves sleep quality by enhancing the deep sleep stage of sleep, increases total sleep time and deep sleep time, improves overall mental well-being measured by the Pittsburgh Sleep Quality Index (PSQI) and Profile of Mood States (POMS), provides positive mood support and enhances emotional well-being; maintains homeostasis of biomarkers—serotonin, melatonin, GABA in formulation in a mammal disclosed that includes administering an effective amount of a composition from 0.01 mg/kg to 1000 mg/kg body weight of the mammal.
• US6436914B1
  申请人：——

  公开号：US6436914B1

  公开（公告）日：2002-08-20