N-tert-butoxycarbonyl-3-(2-amino-4-bromophenylthio)-L-alanine methyl ester | 507479-58-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-tert-butoxycarbonyl-3-(2-amino-4-bromophenylthio)-L-alanine methyl ester
• 英文别名: methyl (2R)-3-(2-amino-4-bromophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• CAS: 507479-58-5
• 化学式: C₁₅H₂₁BrN₂O₄S
• 分子量: 405.313
• InChiKey: YPBLNICAABVJQS-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-tert-butoxycarbonyl-3-(2-amino-4-bromophenylthio)-L-alanine methyl ester 、 sodium hydroxide 在 sodium hydroxide 、 乙酸乙酯 、 Sodium sulfate-III 、 二氯甲烷 作用下， 以 甲基叔丁基醚 、 buffer solution 为溶剂， 反应 33.0h， 以to give 1.56 g N-tert-butoxycarbonyl-3-(2-amino-4-bromophenylthio)-L-alanine as a pale yellow solid (yield: 99.8%)的产率得到N-tert-butoxycarbonyl-3-(2-amino-4-bromophenylthio)-L-alanine
  参考文献：
  名称：

  Substituted 2-amino-3- (2-amino-phenylsulfanyl) -propionic acids

  摘要：

  本发明涉及一种制备式I1化合物的新工艺，其中R1、R2、R3和n如描述中所述，该工艺包括将式II2化合物与蛋白酶在含有有机共溶剂的水系中反应。式I化合物可用于制备1,5-苯并噻吩，其可用作酶抑制剂，如蛋白酶、白细胞介素-1β转化酶、弹性蛋白酶或血管紧张素转化酶，GPCR拮抗剂（胆囊收缩素、血管紧张素II受体）。

  公开号：

  US20030119152A1

文献信息

• Substituted 2-amino-3-(2-amino-phenylsulfanyl)-propionic acids
  申请人：Hoffmann-La Roche Inc.

  公开号：US07011960B2

  公开（公告）日：2006-03-14

  The present invention relates to a new process for the preparation compounds of formula I wherein R1, R2, R3 and n are as described in the description which process comprises reacting compounds of formula II wherein R1, R2, R3, n and R4 are as described in the description, with a protease in an aqueous system containing an organic co-solvent. The compound of formula I are useful for the preparation of 1,5-benzothiazepines which are useful as enzyme inhibitors, such as protease, interleukin-1β-converting enzyme, elastase or angiotensin converting enzyme, GPCR antagonists (cholecystokinin, angiotensin II receptor).

  本发明涉及一种制备I式化合物的新工艺，其中R1，R2，R3和n如描述中所述，该工艺包括将II式化合物与蛋白酶在含有有机共溶剂的水系中反应，其中R1，R2，R3，n和R4如描述中所述。I式化合物可用于制备1,5-苯并噻吩，其可用作酶抑制剂，如蛋白酶、白细胞介素-1β转化酶、弹性蛋白酶或血管紧张素转化酶，GPCR拮抗剂（胆囊收缩素、血管紧张素II受体）。
• ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1434870A1

  公开（公告）日：2004-07-07
• US7011960B2
  申请人：——

  公开号：US7011960B2

  公开（公告）日：2006-03-14
• [EN] ENZYMATIC PROCESS FOR THE PREPARATION OF SUBSTITUTED 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIC ACID<br/>[FR] PROCEDE ENZYMATIQUE DE PREPARATION D'ACIDE 2-AMINO-3-(2-AMINO-PHENYLSULFANYL)-PROPIONIQUE A SUBSTITUTION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2003029477A1

  公开（公告）日：2003-04-10

  The compounds of formula (I) are useful for the preparation of 1,5-benzothiazepines which are useful as enzyme inhibitors, such as protease, interleukin-1β-converting enzyme, elastase or angiotensin enzyme, GPCR antagonists (cholecystokinin, angiotensin II receptor). The present invention relates to a new process for the preparation compounds of formula (I), wherein R?1, R2, R3¿ and n are as described in the description which process comprises reacting compounds of formula (II), wherein R?1, R2, R3¿, n and R4 are as described in the description, with a protease in an aqueous system containing an organic co-solvent.
• Substituted 2-amino-3- (2-amino-phenylsulfanyl) -propionic acids
  申请人：——

  公开号：US20030119152A1

  公开（公告）日：2003-06-26

  The present invention relates to a new process for the preparation compounds of formula I 1 wherein R 1 , R 2 , R 3 and n are as described in the description which process comprises reacting compounds of formula II 2 wherein R 1 , R 2 , R 3 , n and R 4 are as described in the description, with a protease in an aqueous system containing an organic co-solvent. The compound of formula I are useful for the preparation of 1,5-benzothiazepines which are useful as enzyme inhibitors, such as protease, interleukin-1&bgr;-converting enzyme, elastase or angiotensin converting enzyme, GPCR antagonists (cholecystokinin, angiotensin II receptor).

  本发明涉及一种制备式I1化合物的新工艺，其中R1、R2、R3和n如描述中所述，该工艺包括将式II2化合物与蛋白酶在含有有机共溶剂的水系中反应。式I的化合物可用于制备1,5-苯并噻吩，其可用作酶抑制剂，如蛋白酶、白细胞介素-1β转化酶、弹性蛋白酶或血管紧张素转化酶、GPCR拮抗剂（胆囊收缩素、血管紧张素II受体）。