((2S)-2-aminobutyl)(4-methoxyphenyl)amine | 757976-31-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ((2S)-2-aminobutyl)(4-methoxyphenyl)amine
• 英文别名: (2S)-1-N-(4-methoxyphenyl)butane-1,2-diamine
• CAS: 757976-31-1
• 化学式: C₁₁H₁₈N₂O
• 分子量: 194.277
• InChiKey: VYRJNVRSWSGANQ-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  47.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ((2S)-2-aminobutyl)(4-methoxyphenyl)amine 、 N-(biphenyl-3-yl)-L-leucine 在 WSC*HCl 、 1-羟基苯并三唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (2S)-N-[(2S)-1-(4-methoxyanilino)butan-2-yl]-4-methyl-2-(3-phenylanilino)pentanamide
  参考文献：
  名称：

  4-Aminophenoxyacetic acids as a novel class of reversible cathepsin K inhibitors

  摘要：

  We have designed and synthesized a novel series of 3-biphenylamino acid amides as cathepsin K inhibitors based on compound I. in these inhibitors, we have discovered 4-aminophenoxyacetic acids 43 and 47 with good IC50 values, although lipophilic groups are favorable for the hydrophobic S1' pocket. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.053
• 作为产物：
  描述：

  N-(4-甲氧基苯基)-2-硝基苯磺酰胺 在 potassium carbonate 、 苯硫酚 、 三苯基膦 、 三氟乙酸 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 生成 ((2S)-2-aminobutyl)(4-methoxyphenyl)amine
  参考文献：
  名称：

  4-Aminophenoxyacetic acids as a novel class of reversible cathepsin K inhibitors

  摘要：

  We have designed and synthesized a novel series of 3-biphenylamino acid amides as cathepsin K inhibitors based on compound I. in these inhibitors, we have discovered 4-aminophenoxyacetic acids 43 and 47 with good IC50 values, although lipophilic groups are favorable for the hydrophobic S1' pocket. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.053

文献信息

• CYSTEINE PROTEASE INHIBITORS
  申请人：Unoki Gen

  公开号：US20090291945A1

  公开（公告）日：2009-11-26

  To provide a compound having an excellent cysteine protease inhibitory effect, and to provide a drug for treatment or prevention of the disease selected from the group consisting of osteoporosis, osteoarthritis, chronic rheumatoid arthritis, Paget's disease of bone, hypercalcemia, bone metastasis of cancer, and ostealgia. A compound represented by formula (1) or a pharmaceutically acceptable salt thereof, or a drug or pharmaceutical composition containing the same as an effective component.

  提供一种具有优异半胱氨酸蛋白酶抑制作用的化合物，并提供一种用于治疗或预防骨质疏松症、骨关节炎、慢性类风湿性关节炎、骨Paget病、高钙血症、骨癌转移和骨痛的药物。化合物由式（1）表示，或其药学上可接受的盐，或将其作为有效成分的药物或药物组合物。
• 4-Aminophenoxyacetic acids as a novel class of reversible cathepsin K inhibitors
  作者：Tsuyoshi Shinozuka、Kousei Shimada、Satoshi Matsui、Takahiro Yamane、Mayumi Ama、Takeshi Fukuda、Motohiko Taki、Satoru Naito

  DOI：10.1016/j.bmcl.2005.12.053

  日期：2006.3

  We have designed and synthesized a novel series of 3-biphenylamino acid amides as cathepsin K inhibitors based on compound I. in these inhibitors, we have discovered 4-aminophenoxyacetic acids 43 and 47 with good IC50 values, although lipophilic groups are favorable for the hydrophobic S1' pocket. (C) 2005 Elsevier Ltd. All rights reserved.