SCY-635 | 210759-10-7

• 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: SCY-635
• 英文别名: (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-((2-(dimethylamino)ethyl)thio)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-24-(2-hydroxy-2-methylpropyl)-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone；(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-[2-(dimethylamino)ethylsulfanyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(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: 210759-10-7
• 化学式: C₆₆H₁₂₀N₁₂O₁₃S
• 分子量: 1321.82
• InChiKey: AQHMBDAHQGYLIU-XNFHFXFQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  92
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  328
• 氢给体数：
  6
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  SCY-635 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 100.0h， 生成 (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-27-((2-(dimethylamino)ethyl)thio)-30-ethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-24-(2-hydroxy-2-methylpropyl)-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone hydrochloride
  参考文献：
  名称：

  [EN] SALTS OF SCY-635 AND USES THEREOF IN MEDICINE
  [FR] SELS DE SCY-635 ET LEURS UTILISATIONS EN MÉDECINE

  摘要：

  本发明涉及公式（I）化合物的盐及其在医学中的用途。具体而言，涉及公式（I）化合物的酸加盐及其药用组合物。此外，该发明还涉及酸加盐在此处的用途以及在本文中披露的药用组合物在制造药物中的用途，特别是在预防、管理、治疗或减轻丙型肝炎病毒（HCV）感染的药物制造中的用途。

  公开号：

  WO2020118715A1
• 作为产物：
  描述：

  cyclosporin A 在 Sebekia benihana 、 水 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 18.5h， 生成 SCY-635
  参考文献：
  名称：

  Synthesis of non-immunosuppressive cyclophilin-Binding cyclosporin A derivatives as potential anti-HIV-1 drugs

  摘要：

  Original cyclosporin A (CsA) derivatives bearing various alkylthio side chains at the sarcosine residue 3 (R configuration) and for the most potent and selective compounds a 4'-hydroxyl group at the Me-Leucine residue 4 were prepared in one or two steps from commercially available CsA. The [2-(dimethyl or diethylamino)-ethylthio-Sar](3)-[(4'-OH)MeLeu](4)-CsA derivatives 3k and 3l displayed potent in vitro anti-HIV-1 (IC50 similar to 46 nM) and low immunosuppressive activities (IC50 > 1500 nM). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.042

文献信息

• [EN] CRYSTALLINE FORM OF COMPOUND AND USES THEREOF IN MEDICINE<br/>[FR] FORME CRISTALLINE DE COMPOSÉ ET SES UTILISATIONS EN MÉDECINE
  申请人：WATERSTONE PHARMACEUTICALS WUHAN CO LTD

  公开号：WO2020038426A1

  公开（公告）日：2020-02-27

  A crystalline form A of the compound having formula (I) and uses thereof in medicine are described. Specifically, it relates to crystalline form A and pharmaceutically compositions thereof. Furthermore, it relates to the uses of crystalline form A disclosed herein and pharmaceutically compositions thereof disclosed herein in the manufacture of a medicament, especially in the manufacture of a medicament for preventing, managing, treating or lessening hepatitis C virus (HCV) infection.

  描述了化合物具有化学式(I)的晶体形式A及其在医学上的用途。具体而言，涉及晶体形式A及其药学组合物。此外，涉及本文所披露的晶体形式A的用途以及本文所披露的药学组合物在制造药物方面的用途，特别是在制造用于预防、管理、治疗或减轻丙型肝炎病毒（HCV）感染的药物方面。
• Cyclosporin compounds, their preparation and the pharmaceutical
  申请人：Rhone-Poulenc Rorer, S.A.

  公开号：US05994299A1

  公开（公告）日：1999-11-30

  Cyclosporin compounds of formula (I): ##STR1## wherein Alk and R are as defined herein, or a pharmaceutically acceptable salt thereof, which derivatives are useful in the treatment and/or prophylaxis of retrovirus infections.

  式(I)的环孢素化合物：##STR1##其中Alk和R如此定义，或其药学上可接受的盐，这些衍生物在治疗和/或预防逆转录病毒感染方面是有用的。
• Process for the preparation of cyclosporin derivatives
  申请人：Aventis Pharma S.A.

  公开号：US07678766B2

  公开（公告）日：2010-03-16

  The invention concerns a novel method for preparing an intermediate polyanion for preparing cyclosporin derivatives by treating a cyclosporin with a hexamethyldisilazane metal salt, optionally in the presence of a metal halide. The treated cyclosporin has one or several free hydroxy groups and/or non-methylated nitrogen atoms in position α and/or any other acid group capable of deprotonation which are optionally deprotonated or in protected form.

  本发明涉及一种新的制备中间聚阴离子的方法，用六甲基二硅氮盐金属盐处理环孢霉素，可选地在金属卤化物的存在下。处理后的环孢霉素在α位具有一个或多个自由羟基和/或未甲基化的氮原子和/或任何其他可去质子化的酸基，可选地去质子化或处于保护状态。
• NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF
  申请人：S&T Global Inc.

  公开号：US20130210704A1

  公开（公告）日：2013-08-15

  The present invention relates to a compound of the Formula (I)): or pharmaceutically acceptable salt thereof, wherein the symbols are as defined in the specification; a pharmaceutical composition comprising the same, a method for treating or preventing viral infections, inflammation, dry eye, central nervous disorders, cardiovascular diseases, cancer, obesity, diabetes, muscular dystrophy, and hair loss.

  本发明涉及公式(I)的化合物或其药学上可接受的盐，其中符号如规范中所定义；以及包含该化合物的制药组合物，用于治疗或预防病毒感染、炎症、干眼症、中枢神经系统疾病、心血管疾病、癌症、肥胖症、糖尿病、肌肉营养不良和脱发的方法。
• [EN] 3-ETHER AND 3-THIOETHER SUBSTITUTED CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF HEPATITIS C INFECTION<br/>[FR] DERIVES DE CYCLOSPORINE 3-ETHER ET 3-THIOETHER SUBSTITUES UTILISES DANS LE TRAITEMENT ET LA PREVENTION D'UNE INFECTION PAR HEPATITE C
  申请人：SCYNEXIS INC

  公开号：WO2006039668A3

  公开（公告）日：2007-04-19