N-MeDCPA | 15533-81-0

• 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: N-MeDCPA
• 英文别名: N-(3,4-Dichlorophenyl)-N-methylpropanamide；N-(3,4-dichlorophenyl)-N-methylpropanamide
• CAS: 15533-81-0
• 化学式: C₁₀H₁₁Cl₂NO
• 分子量: 232.109
• InChiKey: VIFWCQRBNMGEEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-MeDCPA 在 乙二胺四乙酸 、 谷胱甘肽 、 uridine 5'-diphosphoglucuronic acid triammonium salt 、 P'-[2-(acetylamino)-2-deoxy-α-D-glucopyranosyl] ester uridine 5'-(trihydrogen diphosphate), disodium salt 、 6-氨基-9-[3-羟基-5-[(羟基-磺基氧基-磷酰)氧基甲基]-4-膦酰氧基-四氢呋喃-2-基]-嘌呤 、 还原型辅酶II(NADPH)四钠盐 、 还原型辅酶Ⅰ 、 magnesium chloride 、 1,4-二巯基-2,3-丁二醇 作用下， 以 aq. phosphate buffer 为溶剂， 生成 3,4-二氯-N-甲基苯胺 、
  参考文献：
  名称：

  10.1002/prp2.1230

  摘要：

  AbstractThis study provides a detailed understanding of the preclinical pharmacokinetics and metabolism of ELP‐004, an osteoclast inhibitor in development for the treatment of bone erosion. Current treatments for arthritis, including biological disease‐modifying antirheumatic drugs, are not well‐tolerated in a substantial subset of arthritis patients and are expensive; therefore, new treatments are needed. Pharmacokinetic parameters of ELP‐004 were tested with intravenous, oral, and subcutaneous administration and found to be rapidly absorbed and distributed. We found that ELP‐004 was non‐mutagenic, did not induce chromosome aberrations, non‐cardiotoxic, and had minimal off‐target effects. Using in vitro hepatic systems, we found that ELP‐004 is primarily metabolized by CYP1A2 and CYP2B6 and predicted metabolic pathways were identified. Finally, we show that ELP‐004 inhibits osteoclast differentiation without suppressing overall T‐cell function. These preclinical data will inform future development of an oral compound as well as in vivo efficacy studies in mice.

  DOI：

  10.1002/prp2.1230

文献信息

• Method for inhibiting osteoclast development
  申请人：West Virginia University

  公开号：US10682320B2

  公开（公告）日：2020-06-16

  This invention provides a composition comprising Formula I, or salt thereof, wherein X is either chlorine or bromine, Y is either hydrogen or an alkyl group having a carbon chain length from 1 to 5 carbon atoms, and R is an alkyl group having a carbon chain length from 1 to 5 carbon atoms, except that X is not chlorine when Y is hydrogen and R is an ethyl group. A method of preventing bone erosion in a patient and a method of reducing inflammation in a patient using the compositions of Formula I are disclosed.

  本发明提供了一种由式 I 或其盐组成的组合物、 其中X为氯或溴，Y为氢或碳链长度为1至5个碳原子的烷基，R为碳链长度为1至5个碳原子的烷基，但当Y为氢和R为乙基时，X不是氯。本发明公开了一种使用式 I 组合物防止患者骨质侵蚀的方法和一种减轻患者炎症的方法。
• Method For Inhibiting Osteoclast Development
  申请人：Barnett John B.

  公开号：US20130303621A1

  公开（公告）日：2013-11-14

  This invention provides a composition comprising Formula I, or salt thereof, wherein X is either chlorine or bromine, Y is either hydrogen or an alkyl group having a carbon chain length from 1 to 5 carbon atoms, and R is an alkyl group having a carbon chain length from 1 to 5 carbon atoms, except that X is not chlorine when Y is hydrogen and R is an ethyl group. A method of preventing bone erosion in a patient and a method of reducing inflammation in a patient using the compositions of Formula I are disclosed.
• METHOD FOR INHIBITING OSTEOCLAST DEVELOPMENT
  申请人：West Virginia University

  公开号：US20200352884A1

  公开（公告）日：2020-11-12

  This invention provides a composition comprising Formula I, or salt thereof, wherein X is chlorine, Y is a methyl group, and R is an alkyl group having a carbon chain length of three carbon atoms. A method of inhibiting osteoclast development and a method for preventing bone erosion in a patient using the compositions of Formula I are disclosed.
• [EN] HERBICIDAL COMPOSITIONS COMPRISING AMINOPYRALID AND PROPANIL<br/>[FR] COMPOSITIONS HERBICIDES COMPRENANT DE L'AMINOPYRALIDE ET DU PROPANIL
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2014043153A1

  公开（公告）日：2014-03-20

  Provided herein are herbicidal compositions containing (a) aminopyralid or an agriculturally acceptable salt or ester thereof and (b) propanil. The compositions provide synergistic weed control of undesirable vegetation, e.g., in rice, wheat, barley, oats, rye, sorghum, corn or maize, oilseed rape/canola, vegetables, pastures, grasslands, 5 rangelands, fallowland, turf, tree and vine orchards, industrial vegetation management or rights-of-way.