(S)-9-methylundecanoic acid | 244755-88-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (S)-9-methylundecanoic acid
• 英文别名: (9S)-9-methylundecanoic acid
• CAS: 244755-88-2
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: QZCDMZMKQOGSQO-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3
  申请人：ContraVir Pharmaceuticals, Inc.

  公开号：EP3461835A1

  公开（公告）日：2019-04-03

  Analogues of cyclosporin-A are disclosed comprising modifications of the substituents as the positions of amino acids 1 and 3, according to the following Formula (I). The disclosed compounds include compounds having affinity for cyclophilin, including cyclophilin-A, and reduced immunosuppressivity in comparison with cyclosporin-A and analogs thereof modified solely at position 1.

  根据下式(I)，环孢素-A 的类似物包括氨基酸 1 和 3 位置的取代基修饰。所公开的化合物包括与环孢素-A 及其仅在 1 位修饰的类似物相比，对包括环纤蛋白酶-A 在内的环纤蛋白酶具有亲和性并降低免疫抑制性的化合物。
• [EN] CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3<br/>[FR] MOLÉCULES ANALOGUES DE CYCLOSPORINE MODIFIÉES AU NIVEAU DES ACIDES AMINÉS 1 ET 3
  申请人：ISOTECHNIKA PHARMA INC

  公开号：WO2012079172A1

  公开（公告）日：2012-06-21

  Analogues of cyclosporin-A are disclosed comprising modifications of the substituents as the positions of amino acids 1 and 3, according to the following Formula (I). The disclosed compounds include compounds having affinity for cyclophilin, including cyclophilin-A, and reduced immunosuppressivity in comparison with cyclosporin-A and analogs thereof modified solely at position 1.