3-(hydroxymethyl)-2-nitrobenzoic acid | 1187238-35-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(hydroxymethyl)-2-nitrobenzoic acid
• CAS: 1187238-35-2
• 化学式: C₈H₇NO₅
• 分子量: 197.147
• InChiKey: DSZDFTCZBAXJAU-UHFFFAOYSA-N

物化性质

• 沸点：
  423.3±40.0 °C(Predicted)
• 密度：
  1.544±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(hydroxymethyl)-2-nitrobenzoic acid 在 氯化亚砜 作用下， 以 苯 为溶剂， 生成 3-(Chloromethyl)-2-nitrobenzoic acid
  参考文献：
  名称：

  Design, synthesis and identification of novel colchicine-derived immunosuppressant

  摘要：

  Synthesis and biological evaluation of various colchicine analogues through the mixed-lymphocyte reaction (MLR), lymphoproliferation, and inhibitory effects on the inflammatory genes are described. In addition, a new series of immunosuppressive agents developed on the structural basis of colchicine, as well as their structure-activity relationships is reported. The most potent analogue 20a exhibited an excellent immunosuppressive activity on in vivo skin-allograft model, which is comparable to that of cyclosporin A. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.054
• 作为产物：
  描述：

  2,6-二甲基硝基苯 在 potassium permanganate 、 硼烷四氢呋喃络合物 、 硫酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 、 乙酸乙酯 为溶剂， 反应 35.0h， 生成 3-(hydroxymethyl)-2-nitrobenzoic acid
  参考文献：
  名称：

  Photodegradable Macromers and Hydrogels for Live Cell Encapsulation and Release

  摘要：

  Hydrogel scaffolds are commonly used as 3D carriers for cells because their properties can be tailored to match natural extracellular matrix. Hydrogels may be used in tissue engineering and regenerative medicine to deliver therapeutic cells to injured or diseased tissue through controlled degradation. Hydrolysis and enzymolysis are the two most common mechanisms employed for hydrogel degradation, but neither allows sequential or staged release of cells. In contrast, photodegradation allows external real-time spatial and temporal control over hydrogel degradation, and allows for staged and sequential release of cells. We synthesized and characterized a series of macromers incorporating photodegradbale ortho-nitrobenzyl (o-NB) groups in the macromer backbone. We formed hydrogels from these macromers via redox polymerization and quantified the apparent rate constants of degradation (k(app)) of each via photorheology at 370 nm, 10 mW/cm(2). Decreasing the number of aryl ethers on the o-NB group increases k(app), and changing the functionality from primary to seconday at the benzylic site dramatically increases k(app). Human mesenchymal stem cells (hMSCs) survive encapsulation in the hydrogels (90% viability postencapsulation). By exploiting the differences in reactivity of two different o-NB linkers, we quantitatively demonstrate the biased release of one stem cell population (green-fluoroescent protein expressing hMSCs) over another (red-fluorescent protein expressing hMSCs).

  DOI：

  10.1021/ja305280w

文献信息

• SULFONAMIDE DERIVATIVES AND THEIR USE
  申请人：PHARMACOPEIA, INC.

  公开号：EP0751765A1

  公开（公告）日：1997-01-08
• EP0751765A4
  申请人：——

  公开号：EP0751765A4

  公开（公告）日：1997-05-28
• US5618825A
  申请人：——

  公开号：US5618825A

  公开（公告）日：1997-04-08
• US5756810A
  申请人：——

  公开号：US5756810A

  公开（公告）日：1998-05-26
• [EN] SULFONAMIDE DERIVATIVES AND THEIR USE<br/>[FR] DERIVES DE SULFONAMIDE ET LEURS UTILISATIONS
  申请人：PHARMACOPEIA, INC.

  公开号：WO1995024186A1

  公开（公告）日：1995-09-14

  (EN) Combinatorial libraries are disclosed which are represented by the formula (I): (T'-L)q- S -C(O)-L'-II' wherein: S is a solid support; T'-L- is an identifier residue; and -L'-II' is a ligand/linker residue. These libraries contain aryl sulfonamides, N-acyl derivatives, and N-substituted pyrrolidines and piperidines of the formula: Y-A-CO-R1 which are inhibitors of serine proteases and carbonic anhydrase isozymes. They are useful in the treatment of hyper-coagulation disease and ocular diseases such as glaucoma.(FR) L'invention se rapporte à des banques combinatoires de composés qui sont représentés par la formule (I) (T'-L)qp S -C(O)-L'-II' dans laquelle S est un support solide; T'-L- est un reste de séquence identificatrice; et -L'-II' est un reste de ligand/segment de liaison. Ces banques contiennent des sulfonamides d'aryle, des dérivés de N-acyle, des pyrrolidines et des piperidines N- substitués de la formule: Y-A-CO-R1 qui sont des inhibiteurs de sérines protéases et d'isozymes anhydrase carbonique. Ces composés sont utilisés dans le traitement de l'hypercoagulation et de troubles occulaires tel que le glaucome.