2-(膦氧基)丙烷-1,2,3-三羧酸 | 2565-87-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 无环羧酸
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-(膦氧基)丙烷-1,2,3-三羧酸
• 中文别名: 2-(磷酰氧基)-1,2,3-丙三羧酸；磷酰柠檬酸
• 英文名称: phosphocitric acid
• 英文别名: 2-phosphonooxy-1,2,3-propane tricarboxylic acid；3-carboxy-3-phosphonooxy pentanedioic acid；phosphocitrate；2-phosphonooxy-propane-1,2,3-tricarboxylic acid；2-Phosphonooxy-propan-1,2,3-tricarbonsaeure；citric acid, phosphate；2-phosphonooxypropane-1,2,3-tricarboxylic acid
• CAS: 2565-87-9
• 化学式: C₆H₉O₁₀P
• 分子量: 272.105
• InChiKey: XTRHYDMWPCTCKN-UHFFFAOYSA-N

物化性质

• 熔点：
  >300℃
• 沸点：
  457.6±55.0 °C(Predicted)
• 密度：
  1.985

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  179
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  tribenzyl citrate 在 platinum(IV) oxide 、 palladium on activated charcoal sodium hydroxide 、 氢气 作用下， 反应 0.17h， 生成 2-(膦氧基)丙烷-1,2,3-三羧酸
  参考文献：
  名称：

  Sallis, John; Meehan, John; Kamperman, Harold, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 76, # 1-4, p. 281 - 284

  摘要：

  DOI：
• 作为试剂：
  描述：

  isorhamnetin 3-rutinoside-7-rhamnoside 在 可得然胶 、 hesperidinase 、 2-(膦氧基)丙烷-1,2,3-三羧酸 、 McIlvaine buffer 、 正丁醇 作用下， 以 二甲基亚砜 为溶剂， 反应 1.08h， 生成 异鼠李素-3-O-葡萄糖苷
  参考文献：
  名称：

  Studies on the antihemorrhagic substances in herbs classified as hemostatics in chinese medicine. IX. On the antihemorrhagic principles in Typha lactifolia L.

  摘要：

  根据田岛法的止血活性，从香蒲（Typha lactifolia L.）的干燥花粉中分离出了两种止血原理，一种新的黄酮醇葡萄糖苷（1）和一种未知化合物（2）、它是传统中药中治疗瘀血便血最重要的药材之一。根据化学转化和光谱数据，确定了 1 的结构为异鼠李糖素 3-芸香糖苷-7-鼠李糖苷（3-[6-O-(6-脱氧-α-L-吡喃甘露糖基)-β-D-吡喃葡萄糖基] 氧-5-羟基-7-[β-L-吡喃甘露糖基] 氧-2-(4-羟基-3-甲氧基苯基)-4H-1-苯并吡喃-4-酮）。

  DOI：

  10.1248/cpb.36.4414

文献信息

• PYRIDIN-2YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF
  申请人：Sarma Jadab Chandra

  公开号：US20130131350A1

  公开（公告）日：2013-05-23

  The present invention relates to Pyridin-2-yl sulfanyl acid ester compounds having antiinflammatory properties. The present invention particularly relates to novel anti-inflammatory heterocyclic acid esters of Pyridin-2-yl sulfanyl having the structure of general formula 1 which have been screened for their antiinflammatory activity with respect to inhibition of adhesion of neutrophils, isolated from human peripheral blood, onto the surface of human umbilical vein endothelial cells (HU-VEC) as a result of inhibition of the cytokine-stimulated expression of cell adhesion molecule ICAM-1. The compound RS—Z, 3-(Pyridin-2-yl sulfanyl)-propionic acid pentyl ester (structure 1a, R 1 =H, R 2 =H, R 3 =CH2-COOC5H 11 ) was found to be most effective for ICAM-1 and neutrophil adhesion inhibition and was found to effectively alleviate inflammation mediated by excessive leukocyte infiltration leading to inflammatory disorders or like conditions, such as acute lung injury and acute respiratory distress syndrome in mice.

  本发明涉及具有抗炎性能的吡啶-2-基硫醇酸酯化合物。本发明特别涉及吡啶-2-基硫醇的新型抗炎杂环酸酯，其具有通式1的结构，已经针对其抗炎活性进行了筛选，以抑制从人类外周血液中分离出的中性粒细胞粘附到人脐静脉内皮细胞（HU-VEC）表面，结果是通过抑制细胞粘附分子ICAM-1的细胞因子刺激表达来实现。化合物RS—Z，3-(吡啶-2-基硫醇)-丙酸戊酯（结构1a，R1=H，R2=H，R3=CH2-COOC5H11）被发现对ICAM-1和中性粒细胞粘附抑制效果最显著，并且被发现有效缓解由过度白细胞浸润引起的炎症，导致炎症性疾病或类似症状，如小鼠的急性肺损伤和急性呼吸窘迫综合征。
• Preparation of pyrazines
  申请人：SOCIETE DES PRODUITS NESTLE S.A.

  公开号：EP1357193A1

  公开（公告）日：2003-10-29

  The present invention relates to a new process for the generation of pyrazines consisting in the bioconversion of hydroxyketones with 1,2-diaminopropane. New tetrahydropyrazine derivatives as well as new dihydropyrazine derivatives with high flavour and low threshold properties are disclosed. Such pyrazines compounds exhibiting roasted and earthy aroma profiles may be used in the food and bevererage industry, especially chocolate, confectionery and coffee.

  本发明涉及一种生成吡嗪类化合物的新工艺，该工艺包括通过1,2-二氨基丙烷对羟基酮的生物转化。公开了新的四氢吡嗪衍生物以及新的二氢吡嗪衍生物，这些衍生物具有浓郁的风味和低阈值特性。这些呈现烤制和泥土香味的吡嗪化合物可用于食品和饮料行业，特别是用于巧克力、糖果和咖啡。
• [EN] PYRIDIN- 2 - YL SULFANYL ACID ESTERS AND PROCESS FOR THE PREPARATION THEREOF<br/>[FR] ESTERS DE PYRIDIN-2-YLSULFANYLACIDES ET LEUR PROCÉDÉ DE SYNTHÈSE
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2012011123A1

  公开（公告）日：2012-01-26

  The present invention relates to Pyridin-2-yl sulfanyl acid ester compounds having antiinflammatory properties. The present invention particularly relates to novel anti-inflammatory heterocyclic acid esters of Pyridin-2-yl sulfanyl having the structure of general formula 1 which have been screened for their antiinflammatory activity with respect to inhibition of adhesion of neutrophils, isolated from human peripheral blood, onto the surface of human umbilical vein endothelial cells (HUVEC) as a result of inhibition of the cytokine-stimulated expression of cell adhesion molecule ICAM-1. The compound RS-Z, 3-(Pyridin-2-yl sulfanyl)-propionic acid pentyl ester (structure la, R1 = H, R2 = H, R3 = CH2COOC5H11) was found to be most effective for ICAM-1 and neutrophil adhesion inhibition and was found to effectively alleviate inflammation mediated by excessive leukocyte infiltration leading to inflammatory disorders or like conditions, such as acute lung injury and acute respiratory distress syndrome in mice.

  本发明涉及具有抗炎性质的吡啶-2-基巯酸酯化合物。本发明特别涉及一类新型的抗炎杂环酸酯，其具有通用公式1的结构，并且已经通过抑制从人外周血中分离的中性粒细胞粘附到人脐静脉内皮细胞（HUVEC）表面的能力来筛选其抗炎活性，这是通过抑制细胞粘附分子ICAM-1的细胞因子刺激表达的结果。发现化合物RS-Z，3-(吡啶-2-基巯基)-丙酸戊酯（结构la，R1 = H，R2 = H，R3 = CH2COOC5H11）对ICAM-1和中性粒细胞粘附抑制最有效，并且发现它有效地缓解了由过度白细胞浸润导致的炎症介导的炎症疾病或类似状况，例如小鼠的急性肺损伤和急性呼吸窘迫综合征。
• Nitrilases, nucleic acids encoding them and methods for making and using them
  申请人：Diversa Corporation

  公开号：US20040014195A1

  公开（公告）日：2004-01-22

  The invention relates to nitrilases and to nucleic acids encoding the nitrilases. In addition methods of designing new nitrilases and method of use thereof are also provided. The nitrilases have increased activity and stability at increased pH and temperature.

  该发明涉及腈酶和编码腈酶的核酸。此外还提供了设计新腈酶的方法以及使用该方法的方法。这些腈酶在较高的pH值和温度下具有增加的活性和稳定性。
• [EN] METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION<br/>[FR] PROCÉDÉS ET COMPOSITIONS D'INHIBITION DE L'INTERACTION DCN1-UBC12
  申请人：ST JUDE CHILDREN'S RES HOSPITAL

  公开号：WO2017049295A1

  公开（公告）日：2017-03-23

  In one aspect, the invention relates to substituted l-phenyl-3-(piperidin-4-yl)urea analogs, derivatives thereof, and related compounds, which are useful as inhibitors of the DCN1-UBC12 interaction inhibitors of DCN1 -mediated cullin-RING ligase activity, methods of making same, pharmaceutical compositions comprising same, methods of treating disorders using the disclosed compounds and compositions, methods of treating disorders associated with a DCN1-UBC12 interaction dysfunction, methods of treating disorders associated with a DCN1-mediated cullin-RING ligase activity dysfunction, methods of male contraception comprising the disclosed compounds and compositions, and kits comprising the disclosed compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，本发明涉及替代的l-苯基-3-(哌啶-4-基)脲类似物，其衍生物和相关化合物，这些化合物可用作DCN1-UBC12相互作用抑制剂和DCN1介导的卡林-环形酶活性抑制剂，制备方法，包含这些化合物的药物组合物，使用所披露的化合物和组合物治疗疾病的方法，治疗与DCN1-UBC12相互作用功能障碍相关的疾病的方法，治疗与DCN1介导的卡林-环形酶活性功能障碍相关的疾病的方法，包含所披露的化合物和组合物的男性避孕方法，以及包含所披露的化合物和组合物的试剂盒。本摘要旨在作为在特定领域进行搜索的扫描工具，并不打算限制本发明。