(2S)-1-[1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-(diaminomethylideneamino)hexanoyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid | 1024828-82-7

• 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: (2S)-1-[1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-(diaminomethylideneamino)hexanoyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
• CAS: 1024828-82-7
• 化学式: C₄₁H₆₁N₉O₆
• 分子量: 775.992
• InChiKey: NLHUFIKAQYWPME-JSMUHSIHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  56
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  239
• 氢给体数：
  7
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  在 三异丙基硅烷 、 水 、 三氟乙酸 作用下， 反应 1.5h， 生成 (2S)-1-[1-[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-(diaminomethylideneamino)hexanoyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
  参考文献：
  名称：

  Synthetic peptide amides

  摘要：

  该发明涉及合成肽酰胺配体与kappa阿片受体，特别是kappa阿片受体激动剂，表现出低的P450 CYP抑制作用和低的脑内渗透性。该发明的合成肽酰胺符合以下结构的结构：含有这些化合物的药物组合物在预防和治疗与多种疾病和病况相关的疼痛和炎症方面是有用的。这种可治疗的疼痛包括内脏疼痛、神经病性疼痛和过敏症。与疾病如炎症性肠病和肠易激综合症、眼部和耳部炎症、其他疾病和病况如瘙痒、水肿、低钠血症、低钾血症、肠梗阻、咳嗽和青光眼相关的炎症可以通过该发明的药物组合物进行治疗或预防。

  公开号：

  US07402564B1

文献信息

• SYNTHETIC PEPTIDE AMIDES
  申请人：Schteingart Claudio D.

  公开号：US20090075907A1

  公开（公告）日：2009-03-19

  The invention relates to synthetic peptide amide ligands of the kappa opioid receptor and particularly to agonists of the kappa opioid receptor that exhibit low P 450 CYP inhibition and low penetration into the brain. The synthetic peptide amides of the invention conform to the structure of formula I: Pharmaceutical compositions containing these compounds are useful in the prophylaxis and treatment of pain and inflammation associated with a variety of diseases and conditions. Such treatable pain includes visceral pain, neuropathic pain and hyperalgesia. Inflammation associated with conditions such as IBD and IBS, ocular and otic inflammation, other disorders and conditions such as pruritis, edema, hyponatremia, hypokalemia, ileus, tussis and glaucoma are treatable or preventable with the pharmaceutical compositions of the invention.

  本发明涉及合成肽酰胺类κ-阿片受体配体，特别涉及表现出低P450CYP抑制和低脑内渗透的κ-阿片受体激动剂。本发明的合成肽酰胺符合公式I的结构：含有这些化合物的药物组合物在预防和治疗与各种疾病和病况相关的疼痛和炎症方面非常有用。这种可治疗的疼痛包括脏器疼痛，神经病理性疼痛和过度疼痛反应。与条件，如炎症相关的炎症，眼部和耳部炎症，其他疾病和病况，如瘙痒，水肿，低钠血症，低钾血症，肠梗阻，咳嗽和青光眼，均可通过本发明的药物组合物得到治疗或预防。
• SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF
  申请人：Schteingart Claudio D.

  公开号：US20100075910A1

  公开（公告）日：2010-03-25

  The invention relates to synthetic peptide amides that are ligands of the kappa opioid receptor and particularly to agonists of the kappa opioid receptor that exhibit low P 450 CYP inhibition and low penetration into the brain. The synthetic peptide amides of the invention conform to the structure: wherein Xaa is a D-amino acid and G is selected from the following three groups: The compounds are useful in the prophylaxis and treatment of pain, pruritus and inflammation associated with a variety of diseases and conditions.

  本发明涉及合成的肽酰胺，它们是kappa阿片受体的配体，特别是kappa阿片受体的激动剂，表现出低的P450CYP抑制和低的进入大脑的能力。本发明的合成肽酰胺符合以下结构：其中Xaa是D-氨基酸，G选择自以下三个组：这些化合物在预防和治疗与各种疾病和情况相关的疼痛、瘙痒和炎症方面非常有用。
• METHODS AND COMPOSITIONS FOR TREATING VASOMOTOR SYMPTOMS
  申请人：UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION

  公开号：US20150272927A1

  公开（公告）日：2015-10-01

  The present disclosure is generally directed to compositions and methods for treating or limiting development of vasomotor symptoms in a subject.
• Methods and Compositions for Treating Vasomotor Symptoms
  申请人：UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION

  公开号：US20170020855A1

  公开（公告）日：2017-01-26

  The present disclosure is generally directed to compositions and methods for treating or limiting development of vasomotor symptoms in a subject.
• Oral Formulations of Kappa Opioid Receptor Agonists
  申请人：Cara Therapeutics, Inc.

  公开号：US20210346505A1

  公开（公告）日：2021-11-11

  The invention provides formulations for oral delivery of a therapeutic agent wherein the formulation comprises a kappa opioid receptor agonist and an absorption enhancer, the absorption enhancer includes a medium chain fatty acid or a salt of a medium chain fatty acid; and a medium chain fatty acid glyceride. The kappa opioid receptor agonist may be embedded in an oligosaccharide, such as trehalose. Also provided are capsules containing the oral formulations of the kappa opioid receptor agonists and the absorption enhancer of the invention and methods use of these formulations for the prophylaxis and treatment of variety of kappa opioid receptor-associated diseases and conditions such as pain, pruritus and inflammation; the method comprising administering to the mammal the formulation comprising the kappa opioid receptor agonist and an absorption enhancer.