N-1-[3-(oxycodone-6-enol-carbonyl-methyl-amino)-2,2-dimethyl-propylamine]-arginine-glycine-malonic acid | 1384724-21-3

• 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-1-[3-(oxycodone-6-enol-carbonyl-methyl-amino)-2,2-dimethyl-propylamine]-arginine-glycine-malonic acid
• 英文别名: 3-[[2-[[(2S)-1-[[3-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxycarbonyl-methylamino]-2,2-dimethylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-oxopropanoic acid
• CAS: 1384724-21-3
• 化学式: C₃₆H₅₂N₈O₁₀
• 分子量: 756.856
• InChiKey: YVTDJCBGKCQSPF-DFIMAEIUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  54
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  261
• 氢给体数：
  7
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 乙醚 、 间甲酚 为溶剂， 反应 4.0h， 以69.6%的产率得到N-1-[3-(oxycodone-6-enol-carbonyl-methyl-amino)-2,2-dimethyl-propylamine]-arginine-glycine-malonic acid
  参考文献：
  名称：

  Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug

  摘要：

  本发明提供了化合物KC-8，即N-1-[3-(氧可酮-6-烯醇-羰基-甲基-氨基)-2,2-二甲基-丙胺]-精氨酸-甘氨酸-苹果酸，或其可接受的盐、溶剂合物和水合物。本发明还提供了包含前药KC-8的组合物及其使用方法，其中该组合物包含一个前药KC-8，它能控制释放氧可酮。这样的组合物可以选择性地提供一个胰蛋白酶抑制剂，该抑制剂与介导前药控制释放氧可酮的酶相互作用，以减弱前药的酶切裂。

  公开号：

  US20120178772A1

文献信息

• COMPOSITIONS FOR REDUCING RISK OF ADVERSE EVENTS CAUSED BY DRUG-DRUG INTERACTIONS
  申请人：JENKINS Thomas E.

  公开号：US20120232066A1

  公开（公告）日：2012-09-13

  The present disclosure provides a composition comprising a GABA A agonist and a GI enzyme inhibitor. The present disclosure also provides a composition comprising (a) a GI enzyme inhibitor and (b) a first drug that interacts with a second drug to produce an adverse effect when the second drug is co-ingested as a GI enzyme-cleavable prodrug with the first drug. Such an interaction can be additive or synergistic.

  本公开提供一种包含GABAA激动剂和GI酶抑制剂的组合物。本公开还提供一种包含（a）GI酶抑制剂和（b）第一药物的组合物，当第二药物以GI酶可切割的前药形式与第一药物共同摄入时，第一药物与第二药物相互作用产生不良效应。这种相互作用可以是加成的或协同的。
• COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OXYCODONE PRODRUG
  申请人：Signature Therapeutics, Inc.

  公开号：EP2663187B1

  公开（公告）日：2016-06-01
• US9499581B2
  申请人：——

  公开号：US9499581B2

  公开（公告）日：2016-11-22
• [EN] COMPOSITIONS COMPRISING ENZYME-CLEAVABLE OXYCODONE PRODRUG<br/>[FR] COMPOSITIONS CONTENANT UN PROMÉDICAMENT D'OXYCODONE POUVANT ÊTRE CLIVÉ PAR UNE ENZYME
  申请人：SIGNATURE THERAPEUTICS INC

  公开号：WO2012096887A2

  公开（公告）日：2012-07-19

  The embodiments provide Compound KC-8, N-1-[3-(oxycodone-6-enol-carbonyl-methyl-amino)-2,2-dimethyl-propylamine]-arginine-glycine-malonic acid, or acceptable salts, solvates, and hydrates thereof. The present disclosure also provides compositions, and their methods of use, where the compositions comprise a prodrug, Compound KC-8, that provides controlled release of oxycodone. Such compositions can optionally provide a trypsin inhibitor that interacts with the enzyme that mediates the controlled release of oxycodone from the prodrug so as to attenuate enzymatic cleavage of the prodrug.
• [EN] COMPOSITIONS FOR REDUCING RISK OF ADVERSE EVENTS CAUSED BY DRUG-DRUG INTERACTIONS<br/>[FR] COMPOSITIONS PERMETTANT DE RÉDUIRE LE RISQUE D'EFFETS SECONDAIRES PROVOQUÉS PAR DES INTERACTIONS INTERMÉDICAMENTEUSES
  申请人：SIGNATURE THERAPEUTICS INC

  公开号：WO2012122412A2

  公开（公告）日：2012-09-13

  The present disclosure provides a composition comprising a GABAA agonist and a GI enzyme inhibitor. The present disclosure also provides a composition comprising (a) a GI enzyme inhibitor and (b) a first drug that interacts with a second drug to produce an adverse effect when the second drug is co-ingested as a GI enzyme-cleavable prodrug with the first drug. Such an interaction can be additive or synergistic.