(9CI)-N-(1,1-二甲基乙基)-N-甲基-脲 | 216142-80-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 中文名称: (9CI)-N-(1,1-二甲基乙基)-N-甲基-脲
• 英文名称: N-methyl-N-tert-butylamine
• 英文别名: N-tert-Butyl-N-methylurea；1-tert-butyl-1-methylurea
• CAS: 216142-80-2
• 化学式: C₆H₁₄N₂O
• mdl: MFCD18967812
• 分子量: 130.19
• InChiKey: RTSUXCDLIDGDAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (9CI)-N-(1,1-二甲基乙基)-N-甲基-脲 、 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 生成
  参考文献：
  名称：

  A Systematic Approach to the Optimization of Substrate-Based Inhibitors of the Hepatitis C Virus NS3 Protease:  Discovery of Potent and Specific Tripeptide Inhibitors

  摘要：

  The inadequate efficacy and tolerability of current therapies for the infectious liver disease caused by the hepatitis C virus have warranted significant efforts in the development of new therapeutics. We have previously reported competitive peptide inhibitors of the NS3 serine protease based on the N-terminal cleavage products of peptide substrates. A detailed study of the interactions of these substrate-based inhibitors with the different subsites of the serine protease active site led to the discovery of novel residues that increased the affinity of the inhibitors. In this paper, we report the combination of the best binding residues in a tetrapeptide series that resulted in extremely potent inhibitors that bind exquisitely well to this enzyme. A substantial increase in potency was obtained with the simultaneous introduction of a 7-methoxy-2-phenyl-4-quinolinoxy moiety at the gamma-position of the P2 proline and a tert-leucine as a P3 residue. The increase in potency allowed for the further truncation and led to the identification of tripeptide inhibitors. Structure activity relationship studies on this inhibitor series led to the identification of carbamate-containing tripeptides that are able to inhibit replication of subgenomic HCV RNA in cell culture with potencies below 1 muM. This inhibitor series has the potential of becoming antiviral agents for the treatment of HCV infections.

  DOI：

  10.1021/jm0494523

文献信息

• AMINO ACID COMPOUNDS AND METHODS OF USE
  申请人：Pliant Therapeutics, Inc.

  公开号：US20200109141A1

  公开（公告）日：2020-04-09

  The invention relates to compounds of formula (I): or a salt thereof, wherein R 1 , G, L 1 , L 2 , L 3 , and Y are as described herein. Compounds of formula (I) and pharmaceutical compositions thereof are inhibitors of one, or both of, αvβ 1 integrin and αvβ 6 integrin that are useful for treating fibrosis such as in nonalcoholic steatohepatitis (NASH), idiopathic pulmonary fibrosis (IPF) and nonspecific interstitial pneumonia (NSIP).

  本发明涉及如下公式(I)的化合物： 或其盐，其中R1、G、L1、L2、L3和Y如本文所述。公式(I)的化合物及其药物组合物是αvβ1整合素和/或αvβ6整合素的一种或两种的抑制剂，用于治疗纤维化，如非酒精性脂肪肝炎（NASH）、特发性肺纤维化（IPF）和非特异性间质性肺炎（NSIP）。
• FACTOR VIIA INHIBITOR
  申请人：PHARMACYCLICS, INC.

  公开号：US20140080879A1

  公开（公告）日：2014-03-20

  The present invention relates to novel inhibitors of Factors VIIa, IXa, Xa, XIa, in particular Factor VIIa, pharmaceutical compositions comprising these inhibitors, and methods for using these inhibitors for treating or preventing thromboembolic disorders, cancer or rheumatoid arthritis. Processes for preparing these inhibitors are also disclosed.

  本发明涉及新型因子VIIa、IXa、Xa、XIa的抑制剂，特别是因子VIIa，包括这些抑制剂的药物组合物，以及使用这些抑制剂治疗或预防血栓栓塞性疾病、癌症或类风湿性关节炎的方法。还公开了制备这些抑制剂的方法。
• Factor Viia Inhibitor
  申请人：Dickman Daniel A.

  公开号：US20080275250A1

  公开（公告）日：2008-11-06

  The present invention relates to novel inhibitors or Factors VIIa, IXa, Xa, XIa, in particular Factor VIIa, pharmaceutical compositions comprising these inhibitors, and methods for using these inhibitors for treating or preventing thromboembolic disorders, cancer or rheumatoid arthritis. Processes for preparing these inhibitors are also disclosed.

  本发明涉及新型抑制剂或因子VIIa、IXa、Xa、XIa，特别是因子VIIa，包括这些抑制剂的药物组合物，以及使用这些抑制剂治疗或预防血栓栓塞性疾病、癌症或类风湿性关节炎的方法。还公开了制备这些抑制剂的工艺。
• NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES
  申请人：Dal Piaz Vittorio

  公开号：US20090111819A1

  公开（公告）日：2009-04-30

  Pyridazin-3(2H)-one derivatives of formula (I) are found to inhibit PDE-4: wherein R 1 , R 2 and R 4 are organic radicals, R 3 is a cyclic group, and R 5 is an ester or an aryl or heteroaryl group.

  式(I)的吡啶并嗪-3(2H)-酮衍生物被发现能够抑制PDE-4，其中R1、R2和R4是有机基团，R3是环状基团，R5是酯基或芳基或杂环芳基基团。
• METHOD FOR PRODUCING FLUORINE-CONTAINING ACYLACETIC ACID DERIVATIVE, METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID ESTER DERIVATIVE, AND METHOD FOR PRODUCING FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE
  申请人：Mitsui Chemicals Agro, Inc.

  公开号：EP2263999A1

  公开（公告）日：2010-12-22

  A halogenating agent is added to a mixture including a base, a fluoroalkylcarboxylic acid derivative and an acrylate derivative to produce a fluoroaclyacetic acid derivative represented by the following Formula (3): wherein Rf represents a fluorine containing alkyl group, R1 and R2 represent a hydrogen atom, an alkyl group, a cycloalkyl group, an aryl group, an arylalkyl grou p or an acyl group, or together represent an atomic group that forms a 5- or 6-memb ered ring containing a nitrogen atom to which R1 and R2 are bonded; R3 represents a hydrogen atom, an alkyl group, a cycloalkyl group, an aryl group, or an arylalkyl g roup; and R4 represents an alkyl group, a cycloalkyl group, an aryl group, or an aryl alkyl group.

  在包括碱、氟烷基羧酸衍生物和丙烯酸酯衍生物的混合物中加入卤化剂，生成由下式（3）表示的氟乙酸衍生物： 其中 Rf 代表含氟烷基，R1 和 R2 代表氢原子、烷基、环烷基、芳基、芳烷基或酰基，或共同 代表一个原子团，该原子团形成一个含有氮原子的 5 或 6 嵌合环，R1 和 R2 与该环键合；R3 代表氢原子、烷基、环烷基、芳基或芳基烷基团；以及 R4 代表烷基、环烷基、芳基或芳基烷基团。