(2R)-N-(4-methoxybenzyl)-3-cyclohexylmethylthio-2-(1-(t-butoxycarbonyl)-piperidin-4-ylcarbonylamino)propanamide | 219625-63-5

• 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: (2R)-N-(4-methoxybenzyl)-3-cyclohexylmethylthio-2-(1-(t-butoxycarbonyl)-piperidin-4-ylcarbonylamino)propanamide
• 英文别名: tert-butyl 4-[[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
• CAS: 219625-63-5
• 化学式: C₂₉H₄₅N₃O₅S
• 分子量: 547.759
• InChiKey: CORPBSJISHURJJ-VWLOTQADSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  38
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Amino acid derivatives
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：US20030013725A1

  公开（公告）日：2003-01-16

  A compound of the formula (1): 1 [wherein R 1 is (substituted) alkyl, alkoxy, phenyl, hetero ring etc.; A is bond, CO, SO 2 ; R 2 is H, (substituted) alkyl etc.; D is alkylene etc.; E is COO, OCO, O, S, SO, SO 2 etc.; R 3 is (substituted) alkyl, carbocyclic ring, hetero ring; J is O, NR 16 (R 16 is H, substituted alkyl); R 4 is (substituted) alkyl, carbocyclic ring, hetero ring.] or non-toxic salt thereof, and an N-type calcium channel blocker comprising it as an active ingredient. The compounds of the formula (I) possess an inhibitory action on N-type calcium channel, so they are useful as agent for the prevention and/or treatment of cerebral infarct, transient ischemic attack, encephalomyelopathy after cardiac operation, spinal angiopathy, hypertension with stress, neurosis or epilepsy etc. or agent for the treatment of pain.

  化合物的式子（1）：1[其中R1是（取代）烷基，烷氧基，苯基，杂环等；A是键，CO，SO2；R2是H，（取代）烷基等；D是烷基等；E是COO，OCO，O，S，SO，SO2等；R3是（取代）烷基，环烷基，杂环；J是O，NR16（R16是H，取代烷基）；R4是（取代）烷基，环烷基，杂环。或其非毒性盐，以及作为活性成分的N型钙通道阻滞剂。式（I）的化合物具有对N型钙通道的抑制作用，因此它们可用作预防和/或治疗脑梗死、短暂性脑缺血发作、心脏手术后脑脊髓病、脊髓血管病、应激性高血压、神经症或癫痫等的药物或治疗疼痛的药物。
• AMINO ACID DERIVATIVES
  申请人：Ono Pharmaceutical Co., Ltd.

  公开号：EP0997147A1

  公开（公告）日：2000-05-03

  A compound of the formula (I): [wherein R1 is (substituted) alkyl, alkoxy, phenyl, hetero ring etc.; A is bond, CO, SO2; R2 is H, (substituted) alkyl etc.; D is alkylene etc.; E is COO, OCO, O, S, SO, SO2 etc.; R3 is (substituted) alkyl, carbocyclic ring, hetero ring; J is O, NR16 (R16 is H, substituted alkyl); R4 is (substituted) alkyl, carbocyclic ring, hetero ring.] or non-toxic salt thereof, and an N-type calcium channel blocker comprising it as an active ingredient. The compounds of the formula (I) possess an inhibitory action on N-type calcium channel, so they are useful as agent for the prevention and/or treatment of cerebral infarct, transient ischemic attack, encephalomyelopathy after cardiac operation, spinal angiopathy, hypertension with stress, neurosis or epilepsy etc. or agent for the treatment of pain.

  式 (I) 的化合物： [其中 R1 是（取代）烷基、烷氧基、苯基、杂环等；A 是键、CO、SO2；R2 是 H、（取代）烷基等；D 是亚烷基等；E 是 COO、OCO、O、S、SO、SO2 等。R3是（取代的）烷基、碳环、杂环；J是O、NR16（R16是H、取代的烷基）；R4是（取代的）烷基、碳环、杂环]或其无毒盐，以及包含其作为活性成分的N型钙通道阻滞剂。 式（I）化合物对 N 型钙通道具有抑制作用，因此可作为预防和/或治疗脑梗塞、短暂性脑缺血发作、心脏手术后脑脊髓病变、脊髓血管病变、应激性高血压、神经官能症或癫痫等疾病的药物或治疗疼痛的药物。
• US7166590B2
  申请人：——

  公开号：US7166590B2

  公开（公告）日：2007-01-23