N-Boc-N'-octyloxycarbonylguanidine | 1310540-78-3

• 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-Boc-N'-octyloxycarbonylguanidine
• 英文别名: octyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
• CAS: 1310540-78-3
• 化学式: C₁₅H₂₉N₃O₄
• 分子量: 315.413
• InChiKey: GUQBKVBNHNTMIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氯甲酸正辛酯 、 N-Boc-N'-octyloxycarbonylguanidine 在 三氟甲磺酸酐 作用下， 以 氘代丙酮 、 二氯甲烷 为溶剂， 生成 N-Boc-N'-octyloxy-carbonyl-N"-trifluoromethanesulfonylguanidine
  参考文献：
  名称：

  β-hairpin peptidomimetics

  摘要：

  通式为Cyclo(-Xaa1-Xaa2-Xaa3-Xaa4-Xaa5-Xaa6-Xaa7-Xaa8-Xaa9-Xaa10-Xaa11-Xaa12-Xaa13-Xaa14-Xaa15-Xaa16-)的β-发夹肽类似物及其药学上可接受的盐，其中Xaa1-Xaa16是某些类型的氨基酸残基，其在说明书和权利要求中有定义，具有CXCR4拮抗作用和体内半衰期延长的特性，可用于预防健康个体的HIV感染，或减缓和阻止感染患者的病毒进展；或在CXCR4受体活性介导或导致癌症的情况下；或在CXCR4受体活性介导或导致免疫性疾病的情况下；或用于治疗免疫抑制；或在外周血干细胞分离和/或诱导干细胞移动以调节组织修复的代理中。这些肽类似物可以通过基于混合固相和溶液相合成策略的过程制造。

  公开号：

  US08716242B2

文献信息

• BETA-HAIRPIN PEPTIDOMIMETICS
  申请人：Barthélémy Sophie

  公开号：US20120283196A1

  公开（公告）日：2012-11-08

  β-Hairpin peptidomimetics of the general formula Cyclo(-Xaa 1 -Xaa 2 -Xaa 3 -Xaa 4 -Xaa 5 -Xaa 6 -Xaa 7 -Xaa 8 -Xaa 9 -Xaa 10 -Xaa 11 -Xaa 12 -Xaa 13 -Xaa 14 -Xaa 15 -Xaa 16 -), and pharmaceutically acceptable salts thereof, with Xaa 1-Xaa 16 being amino acid residues of certain types which are defined in the description and the claims, have CXCR4 antagonizing properties and prolonged half-lives in vivo and can be used for preventing HIV infections in healthy individuals or for slowing and halting viral progression in infected patients; or where cancer is mediated or resulting from CXCR4 receptor activity; or where immunological diseases are mediated or resulting from CXCR4 receptor activity; or for treating immunosuppression; or during apheresis collections eases of peripheral blood stem cells and/or as agents to induce mobilization of stem cells to regulate tissue repair. These peptidomimetics can be manufactured by a process which is based on a mixed solid-and solution phase synthetic strategy.
• US8716242B2
  申请人：——

  公开号：US8716242B2

  公开（公告）日：2014-05-06
• [EN] BETA-HAIRPIN PEPTIDOMIMETICS<br/>[FR] PEPTIDOMIMÉTIQUES À BOUCLE EN ÉPINGLE À CHEVEUX BÊTA
  申请人：POLYPHOR AG

  公开号：WO2011066869A1

  公开（公告）日：2011-06-09

  β-Hairpin peptidomimetics of the general formula Cyclo(-Xaa1 -Xaa2 -Xaa3 -Xaa4 -Xaa5 -Xaa6 -Xaa7 -Xaa8 -Xaa9 -Xaa10 -Xaa11 - Xaa12 -Xaa13 -Xaa14 -Xaa15 -Xaa16 -), and pharmaceutically acceptable salts thereof, with Xaa 1 -Xaa 16 being amino acid residues of certain types which are defined in thedescription and the claims, have CXCR4 antagonizing properties and prolonged half-lives in vivo and can be used for preventing HIV infections in healthy individuals or for slowing and halting viral progression in infected patients; or where cancer is mediated or resulting from CXCR4 receptor activity; or where immunological diseases are mediated or resulting from CXCR4 receptor activity; or for treating immunosuppression; or during apheresis collections of peripheral blood stem cells and/or as agents to induce mobilization of stem cells to regulate tissue repair. These peptidomimetics can be manufactured by a process which is based on a mixed solid-and solution phase synthetic strategy.
• β-hairpin peptidomimetics
  申请人：Barthélémy Sophie

  公开号：US08716242B2

  公开（公告）日：2014-05-06

  β-Hairpin peptidomimetics of the general formula Cyclo(-Xaa1-Xaa2-Xaa3-Xaa4-Xaa5-Xaa6-Xaa7-Xaa8-Xaa9-Xaa10-Xaa11-Xaa12-Xaa13-Xaa14-Xaa15-Xaa16-), and pharmaceutically acceptable salts thereof, with Xaa 1-Xaa 16 being amino acid residues of certain types which are defined in the description and the claims, have CXCR4 antagonizing properties and prolonged half-lives in vivo and can be used for preventing HIV infections in healthy individuals or for slowing and halting viral progression in infected patients; or where cancer is mediated or resulting from CXCR4 receptor activity; or where immunological diseases are mediated or resulting from CXCR4 receptor activity; or for treating immunosuppression; or during apheresis collections of peripheral blood stem cells and/or as agents to induce mobilization of stem cells to regulate tissue repair. These peptidomimetics can be manufactured by a process which is based on a mixed solid- and solution phase synthetic strategy.

  通式为Cyclo(-Xaa1-Xaa2-Xaa3-Xaa4-Xaa5-Xaa6-Xaa7-Xaa8-Xaa9-Xaa10-Xaa11-Xaa12-Xaa13-Xaa14-Xaa15-Xaa16-)的β-发夹肽类似物及其药学上可接受的盐，其中Xaa1-Xaa16是某些类型的氨基酸残基，其在说明书和权利要求中有定义，具有CXCR4拮抗作用和体内半衰期延长的特性，可用于预防健康个体的HIV感染，或减缓和阻止感染患者的病毒进展；或在CXCR4受体活性介导或导致癌症的情况下；或在CXCR4受体活性介导或导致免疫性疾病的情况下；或用于治疗免疫抑制；或在外周血干细胞分离和/或诱导干细胞移动以调节组织修复的代理中。这些肽类似物可以通过基于混合固相和溶液相合成策略的过程制造。