3-(1-thioethylamine)cyclosporine A | 1131912-06-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: 3-(1-thioethylamine)cyclosporine A
• 英文别名: cyclo[Abu-D-N(Me)Ncy(EtNH2)(EtNH2)-N(Me)Leu-Val-N(Me)Leu-Ala-D-Ala-N(Me)Leu-N(Me)Leu-N(Me)Val-N(Me)Bmt(E)]；(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-(2-aminoethylsulfanyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• CAS: 1131912-06-5
• 化学式: C₆₄H₁₁₆N₁₂O₁₂S
• 分子量: 1277.76
• InChiKey: MAAUGMVYQGRDOF-HJWUMUHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  89
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  330
• 氢给体数：
  6
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  3-(1-thioethylamine)cyclosporine A 、 N,N-二甲基甲酰胺二甲基缩醛 以 四氢呋喃 为溶剂， 反应 2.0h， 以45%的产率得到3-[(2-N,N-dimethylformamidinyl)-1-thioethyl]-cyclosporin A
  参考文献：
  名称：

  CYCLOSPORIN DERIVATIVES FOR TREATING OCULAR AND DERMAL DISEASES AND CONDITIONS

  摘要：

  本发明提供了一种治疗眼部或皮肤疾病和/或状况的方法，例如眼部的缺水性干眼症状态、葡萄膜炎或晶状体脱离后免疫性内眼炎，或皮肤的包皮炎、银屑病或特应性皮炎，该方法包括局部给予一种新型环孢霉素A衍生物的治疗有效量，所述衍生物由下式表示的化合物组成：其中R1是S-Alk-R，其中Alk是一个烷基链，优选为亚甲基或聚亚甲基链，例如C2到C6的聚亚甲基链，或者是一个多烯基链，例如C3到C6的烯基亚烷基链，R是—N═C(NR3R4)(NR5R6)或NR7[(NR3R4)C═NR5]，即胍或—N═C(R8)(NR9R10)，即酰胺，其中R3-R7为H、Alk、Ar或(CH2)nAr，其中Ar为芳基，n为1到13的整数，或者R3和R4、R4和R5、R5和R7、R3和R7、或R9和R10在一起可以是—CH2—CH2—或—CH2—CH2—CH2—，R2选自羟基、低碳基和羟基取代的低碳基，而R2选自羟基和低碳基。

  公开号：

  US20100009953A1

文献信息

• CYCLOSPORIN DERIVATIVES FOR ENHANCING THE GROWTH OF HAIR
  申请人：Woodward David F.

  公开号：US20100305047A1

  公开（公告）日：2010-12-02

  The present invention provides a method for the treatment of alopecia and/or enhancing hair growth in a patient, wherein said method comprises administering, preferably topically, to the skin, e.g. the scalp or the eyelid, a therapeutically effective amount of a cyclosporin A derivative selected from the group consisting of compounds represented by the formula: wherein R 1 is S-Alk-R wherein Alk is an alkylene or alkylenyl linkage, R is a hydrogen or a unsubstituted or substituted hydrocarbyl group and R 2 is selected from the group consisting of hydroxyl, lower alkyl and hydroxyl substituted lower alkyl.
• CYCLOSPORIN DERIVATIVES FOR TREATING INFLAMMATORY DISEASES AND CONDITIONS
  申请人：Garst Michael E.

  公开号：US20100305037A1

  公开（公告）日：2010-12-02

  The present invention provides a method for the treatment of inflammatory diseases and/or conditions, e.g. allergic conjunctivitis, uveitis or phacoanaphylactic endophthalmitis in an eye of a mammal, said method comprising administering to said mammal in need of treatment a therapeutically effective amount of a novel cyclosporin A derivative selected from the group consisting of compounds represented by the formula: wherein R 1 is S-Alk-R wherein Alk is an alkylene linkage, preferably a methylene or poly methylene linkage, or a polyalkenylene linkage, e.g. a C 3 to C 6 alkenylenyl linkage and R is a hydrogen or a unsubstituted or substituted hydrocarbyl group.
• US8524671B2
  申请人：——

  公开号：US8524671B2

  公开（公告）日：2013-09-03
• US8716238B2
  申请人：——

  公开号：US8716238B2

  公开（公告）日：2014-05-06