methyl N-(4-pyridylmethyl)carbamate | 102127-68-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl N-(4-pyridylmethyl)carbamate
• 英文别名: methyl N-(pyridin-4-ylmethyl)carbamate
• CAS: 102127-68-4
• 化学式: C₈H₁₀N₂O₂
• mdl: MFCD01357493
• 分子量: 166.18
• InChiKey: DOBLSZXYWPBNBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-亚硝基-1-苯基-3-(4-吡啶基甲基)-脲 在 sodium hydroxide 作用下， 反应 0.17h， 生成 methyl N-(4-pyridylmethyl)carbamate
  参考文献：
  名称：

  Reactions of 1-nitroso-1-phenyl-3-(4-pyridylmethyl)ureas.

  摘要：

  将1-硝基-1-苯基和1-硝基-1-(4-甲基苯基)-3-(4-吡啶甲基)脲（Ia, b）在室温下用甲醇和乙醇处理，几乎定量产出N-(4-吡啶甲基)的甲基和乙基碳酸酯（IIIa, b），同时分别生成苯（IVa）和甲苯（IVb）。在70°C下用苯处理Ia, b，分别得到了4-吡啶甲基胺（V）和联苯（VIa）及其4-甲基衍生物（VIb）。在-5°C下用水相醋酸钠处理Ia, b，得到了1, 3-双(4-吡啶甲基)脲（VII）和苯基叠氮化物（VIIIa, b），产率超过90%。化合物Ia对大鼠腹水肝癌AH13表现出抗肿瘤活性，但对小鼠淋巴细胞白血病L1210无效。讨论了这些反应的机制以及Ia的抗肿瘤作用机制。

  DOI：

  10.1248/cpb.34.385

文献信息

• 4-Amino-quinazolines
  申请人：Mederski Werner

  公开号：US20070293667A1

  公开（公告）日：2007-12-20

  Quinazolines of the formula I in which R, R 1 , R 2 , R 3 , R 4 and Y have the meaning indicated in Patent Claim 1 , and their salts or solvates as glycoprotein IbIX antagonists.

  该专利要求中所示的式I中的Quinazoline化合物，其中R，R1，R2，R3，R4和Y具有所示的含义，以及它们的盐或溶剂合物作为糖蛋白IbIX拮抗剂。
• Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases
  申请人：Li Yun Long

  公开号：US20080167288A1

  公开（公告）日：2008-07-10

  The present invention provides compounds of the formula: its enantiomers, diastereomers, racemic mixtures thereof, prodrugs, crystalline forms, non-crystalline forms, amorphous forms thereof, solvates thereof, metabolites thereof, and pharmaceutically acceptable salts, wherein the ring A substituent groups are fully defined in the following disclosure. The compounds of formula are inhibitors of metalloproteases such as matrix metalloproteases and sheddases, and are useful in treating diseases such as rheumatoid arthritis, psoriasis, neoplastic diseases, allergies and all those diseases wherein inhibition of MMPs is desirable.

  本发明提供了公式的化合物：其对映异构体、非对映异构体、混合物、前药、晶体形式、非晶体形式、无定形形式、溶剂化物、代谢物和药学上可接受的盐，其中环A的取代基在下面的披露中被完全定义。公式化合物是金属蛋白酶抑制剂，如基质金属蛋白酶和脱落酶，可用于治疗风湿性关节炎、银屑病、肿瘤性疾病、过敏和所有需要抑制MMP的疾病。
• SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES
  申请人：Incyte Corporation

  公开号：US20150025056A1

  公开（公告）日：2015-01-22

  The present invention provides compounds of the formula I: its enantiomers, diastereomers, racemic mixtures thereof, prodrugs, crystalline forms, non-crystalline forms, amorphous forms thereof, solvates thereof, metabolites thereof, and pharmaceutically acceptable salts, wherein the ring A substituent groups are fully defined in the following disclosure. The compounds of formula I are inhibitors of metalloproteases such as matrix metalloproteases and sheddases, and are useful in treating diseases such as rheumatoid arthritis, psoriasis, neoplastic diseases, allergies and all those diseases wherein inhibition of MMPs is desirable.

  本发明提供了I式化合物：其对映异构体，对映体混合物，前药，结晶形式，非晶形式，无定形形式，其溶剂化物，其代谢物和药学上可接受的盐，其中环A取代基团在以下披露中得到充分定义。I式化合物是金属蛋白酶抑制剂，如基质金属蛋白酶和剪切酶的抑制剂，并且在治疗风湿性关节炎，牛皮癣，肿瘤性疾病，过敏和所有需要抑制MMP的疾病中有用。
• Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239919A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof, wherein R 12 or R 13 on the A group is a carbamate, ester, or ketone substituent (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  本文提供了包含式I的补体因子D抑制剂的化合物、使用方法和制备方法，或其药学上可接受的盐或组合物，其中A基团上的R12或R13是一个氨基甲酸酯、酯或酮取代基（R32）。所述抑制剂靶向因子D，能够在替代补体途径的早期和关键点抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。这些因子D抑制剂能够减少过度激活补体，这与某些自身免疫、炎症和神经退行性疾病、缺血再灌注损伤和癌症有关。
• EP2699557B1
  申请人：——

  公开号：EP2699557B1

  公开（公告）日：2017-08-16