N-[(benzyloxy)carbonyl]-3-[(1-propylbutyl)sulfonyl]alanine | 477790-52-6

• 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-[(benzyloxy)carbonyl]-3-[(1-propylbutyl)sulfonyl]alanine
• 英文别名: 3-Heptan-4-ylsulfonyl-2-(phenylmethoxycarbonylamino)propanoic acid
• CAS: 477790-52-6
• 化学式: C₁₈H₂₇NO₆S
• 分子量: 385.481
• InChiKey: ACBPNFTVCUJNIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-[(benzyloxy)carbonyl]-3-[(1-propylbutyl)sulfonyl]alanine 在 盐酸 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 1,4-二氧六环 为溶剂， 生成
  参考文献：
  名称：

  Design of potent inhibitors of human β-secretase. Part 1

  摘要：

  We describe a novel series of potent inhibitors of human beta-secretase. These compounds possess the hydroxyethyl amine transition state isostere. A 2.5A crystal structure of inhibitor 32 bound to BACE is provided.

  DOI：

  10.1016/j.bmcl.2006.09.092
• 作为产物：
  描述：

  4-庚基硫醇 在 N-甲基吗啉 、 盐酸 、 Oxone 、 TEA 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 N-[(benzyloxy)carbonyl]-3-[(1-propylbutyl)sulfonyl]alanine
  参考文献：
  名称：

  Design of potent inhibitors of human β-secretase. Part 1

  摘要：

  We describe a novel series of potent inhibitors of human beta-secretase. These compounds possess the hydroxyethyl amine transition state isostere. A 2.5A crystal structure of inhibitor 32 bound to BACE is provided.

  DOI：

  10.1016/j.bmcl.2006.09.092

文献信息

• Hydroxy alkyl amines
  申请人：——

  公开号：US20030166717A1

  公开（公告）日：2003-09-04

  Disclosed are compounds of formula X, 1 which are useful in treating Alzheimer's disease and other similar diseases. Pharmaceutical compositions comprising compounds of formula X and methods of preparing the compounds of formula X are also disclosed.

  本发明涉及一种化合物X,1，可用于治疗阿尔茨海默病和其他类似疾病。本发明还涉及包含化合物X的制药组合物和制备化合物X的方法。
• N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives
  申请人：——

  公开号：US20040171881A1

  公开（公告）日：2004-09-02

  Disclosed are compounds of the formula 1 wherein the variables R N , R C , R 1 , R 25 , R 2 , and R 3 are as defined herein. These compounds have activity as inhibitors of beta-secretase and are therefore useful in treating a variety of discorders such as Alzheimer's Disease.

  本文披露了式1的化合物，其中变量RN、RC、R1、R25、R2和R3的定义如本文所述。这些化合物具有抑制β-分泌酶的活性，因此可用于治疗多种疾病，如阿尔茨海默病。
• 1, 3, Diamino-2-Hydroxypropane Pro-Drug Derivatives
  申请人：Fobian Yvette M.

  公开号：US20080161325A1

  公开（公告）日：2008-07-03

  The present invention relates to compounds of formula (AA) (I) and (X): useful in treating Alzheimer's disease and other similar diseases. These compounds include inhibitors of the beta-secretase enzyme that are useful in the treatment of Alzheimer's disease and other diseases characterized by deposition of A beta peptide in a mammal. The compounds of the invention are useful in pharmaceutical compositions and methods of treatment to reduce A beta peptide formation.

  本发明涉及公式（AA）（I）和（X）的化合物，用于治疗阿尔茨海默病和其他类似疾病。这些化合物包括β-分泌酶酶的抑制剂，对治疗阿尔茨海默病和其他哺乳动物中A beta肽沉积的疾病具有用处。本发明的化合物适用于制备药物组合物和治疗方法，以减少A beta肽的形成。
• Hydroxy Alkyl Amines
  申请人：Freskos John

  公开号：US20070299263A1

  公开（公告）日：2007-12-27

  Disclosed are compounds of formula X, which are useful in treating Alzheimer's disease and other similar diseases. Pharmaceutical compositions comprising compounds of formula X and methods of preparing the compounds of formula X are also disclosed.

  本发明涉及一种公式X的化合物，其可用于治疗阿尔茨海默病和其他类似疾病。本发明还涉及包含公式X化合物的制药组合物以及制备公式X化合物的方法。
• HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：EP1395551B1

  公开（公告）日：2008-05-21