t-butyl (2S)-N-benzenesulfonyl-2,3-diaminopropionate

• 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: t-butyl (2S)-N-benzenesulfonyl-2,3-diaminopropionate
• 英文别名: tert-butyl (2S)-2-amino-3-(benzenesulfonamido)propanoate
• 化学式: C₁₃H₂₀N₂O₄S
• 分子量: 300.379
• InChiKey: PVDOBYZTVAGFRP-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  t-butyl (2S)-N-benzenesulfonyl-2,3-diaminopropionate 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 在 N,N-二异丙基乙胺 作用下， 以 N-甲基乙酰胺 、 二氯甲烷 为溶剂， 生成 tert-butyl (2S)-benzenesulfonylamino-3-[2,3-difluoro-4-{4-(pyrimidin-2-ylamino)piperidin-1-yl}benzoylamino]propionate
  参考文献：
  名称：

  Aminopiperidine derivates as integrin &agr;v&bgr;3 antagonists

  摘要：

  本发明的一个目标是提供具有整合素αvβ3拮抗活性、细胞粘附抑制活性、GP IIb/IIIa拮抗活性和/或人类血小板聚集抑制活性的化合物，以及用于治疗心血管疾病、血管生成相关疾病、脑血管疾病等以及抑制血小板聚集的治疗剂。根据本发明的衍生物是由式(I)或其药学上可接受的盐或溶剂所表示的化合物：其中A代表含有两个氮原子或类似物的五至七元杂环基团；D代表>NH2、>CH2或类似物；X和Z代表CH或氮原子；R7和R8代表烷基、卤素或类似物；Q代表>C═O、>CH2或类似物；R9代表H、烷基、芳基烷基或类似物；R10代表H、炔基或类似物；R11代表H、取代氨基或类似物；R12代表H或烷基；m为0至5；n为0至4；p和q各自为1至3；r为0或1。

  公开号：

  US06420558B1

文献信息

• m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：EP1229024A1

  公开（公告）日：2002-08-07

  An object of the present invention is to provide m-substituted benzoic acid derivatives having integrin αvβ3 antagonistic activity. The derivatives according to the present invention are compounds represented by formula (I) or pharmaceutically acceptable salts or solvates thereof, which are useful for the treatment or prevention of cardiovascular diseases, angiogenesis-related diseases, cerebrovascular diseases, cancers and metastasis thereof, immunological diseases, osteopathy and other diseases: wherein A represents an optionally substituted heterocyclic group containing two nitrogen atoms, a bicylic group or the like; D represents a bond, >NR4, >CR5R6, O, S, or -NR4-CR5R6-; X represents CH or N; R7 and R8 represent hydroxyl, alkyl or the like; Q represents >C=O or the like; R9 represents hydrogen, alkyl or the like; J represents a bond or alkylene; R10 represents optionally substituted hydroxyl, amino or the like; R11 represents hydrogen, alkyl or the like; m is 0 to 5; n is 0 to 4; and p and q are each 0 to 3.

  本发明的目的是提供具有整合素αvβ3拮抗活性的m-取代苯甲酸衍生物。根据本发明的衍生物是由式(I)表示的化合物或其药学上可接受的盐或溶剂，可用于治疗或预防心血管疾病、血管生成相关疾病、脑血管疾病、癌症及其转移、免疫性疾病、骨病和其他疾病：其中A代表含有两个氮原子的可选择取代的杂环基团、双环基团或类似物；D代表键，>NR4，>CR5R6，O，S或-NR4-CR5R6-；X代表CH或N；R7和R8代表羟基、烷基或类似物；Q代表>C=O或类似物；R9代表氢、烷基或类似物；J代表键或烷基；R10代表可选择取代的羟基、氨基或类似物；R11代表氢、烷基或类似物；m为0至5；n为0至4；p和q各自为0至3。
• M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity
  申请人：Ajito Keiichi

  公开号：US20050059669A1

  公开（公告）日：2005-03-17

  An object of the present invention is to provide m-substituted benzoic acid derivatives having integrin α v β 3 antagonistic activity. The derivatives according to the present invention are compounds represented by formula (I) or pharmaceutically acceptable salts or solvates thereof, which are useful for the treatment or prevention of cardiovascular diseases, angiogenesis-related diseases, cerebrovascular diseases, cancers and metastasis thereof, immunological diseases, osteopathy and other diseases: wherein A represents an optionally substituted heterocyclic group containing two nitrogen atoms, a bicylic group or the like; D represents a bond, >NR 4 , >CR 5 R 6 , O, S, or —NR 4 —CR 5 R 6 —; X represents CH or N; R 7 and R 8 represent hydroxyl, alkyl or the like; Q represents >C═O or the like; R 9 represents hydrogen, alkyl or the like; J represents a bond or alkylene; R 10 represents optionally substituted hydroxyl, amino or the like; R 11 represents hydrogen, alkyl or the like; m is 0 to 5; n is 0 to 4; and p and q are each 0 to 3.

  本发明的目的是提供具有整合素αvβ3拮抗活性的m-取代苯甲酸衍生物。根据本发明的衍生物是由式(I)表示的化合物或其药学上可接受的盐或溶剂，可用于治疗或预防心血管疾病、血管生成相关疾病、脑血管疾病、癌症及其转移、免疫性疾病、骨病和其他疾病：其中，A表示含有两个氮原子的可选择取代的杂环基团、双环基团或类似物；D表示键合、>NR4、>CR5R6、O、S或—NR4—CR5R6—；X表示CH或N；R7和R8表示羟基、烷基或类似物；Q表示>C═O或类似物；R9表示氢、烷基或类似物；J表示键合或烷基；R10表示可选择取代的羟基、氨基或类似物；R11表示氢、烷基或类似物；m为0至5；n为0至4；p和q各为0至3。
• Aminopiperidine derivates as integrin &agr;v&bgr;3 antagonists
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：US06420558B1

  公开（公告）日：2002-07-16

  An objective of the present invention is to provide compounds having integrin &agr;v&bgr;3 antagonistic activity, cell adhesion inhibitory activity, GP IIb/IIIa antagonistic activity, and/or human platelet aggregation inhibitory activity, and, therapeutic agents for treating cardiovascular diseases, angiogenesis-related diseases, cerebrovascular diseases and the like and for inhibiting platelet aggregation. The derivatives according to the present invention are compounds represented by formula (I) or pharmaceutically acceptable salts or solvates thereof: wherein A represents a five- to seven-membered heterocyclic group containing two nitrogen atoms or the like; D represents >NH2, >CH2 or the like; X and Z represent CH or a nitrogen atom; R7 and R8 represent alkyl, halogen or the like; Q represents >C═O, >CH2 or the like; R9 represents H, alkyl, aralkyl or the like; R10 represents H, alkynyl or the like; R11 represents H, substituted amino or the like; R12 represents H or alkyl; m is 0 to 5; n is 0 to 4; p and q are each 1 to 3; and r is 0 or 1.

  本发明的一个目标是提供具有整合素αvβ3拮抗活性、细胞粘附抑制活性、GP IIb/IIIa拮抗活性和/或人类血小板聚集抑制活性的化合物，以及用于治疗心血管疾病、血管生成相关疾病、脑血管疾病等以及抑制血小板聚集的治疗剂。根据本发明的衍生物是由式(I)或其药学上可接受的盐或溶剂所表示的化合物：其中A代表含有两个氮原子或类似物的五至七元杂环基团；D代表>NH2、>CH2或类似物；X和Z代表CH或氮原子；R7和R8代表烷基、卤素或类似物；Q代表>C═O、>CH2或类似物；R9代表H、烷基、芳基烷基或类似物；R10代表H、炔基或类似物；R11代表H、取代氨基或类似物；R12代表H或烷基；m为0至5；n为0至4；p和q各自为1至3；r为0或1。