2,3-diamino-6,6,7-trimethyl-1-thioxo-1,2,5,6,7,8-hexahydro-2,7-naphthyridine-4-carbonitrile | 373375-36-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2,3-diamino-6,6,7-trimethyl-1-thioxo-1,2,5,6,7,8-hexahydro-2,7-naphthyridine-4-carbonitrile
• 英文别名: 2,3-diamino-4-cyano-6,6,7-trimethyl-(1,2,5,6,7,8-hexahydro-2,7-napthyridine-1-thione)；2,3-diamino-4-cyano-6,6,7-trimethyl-(1,2,5,6,7,8-hexahydro-2,7-naphthyridine-1-thione)；2,3-Diamino-6,6,7-trimethyl-1-sulfanylidene-5,8-dihydro-2,7-naphthyridine-4-carbonitrile
• CAS: 373375-36-1
• 化学式: C₁₂H₁₇N₅S
• 分子量: 263.366
• InChiKey: VVHXEGHJTHCWMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• SUBSTITUTED 3-AMINO-1-OXO OR THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTHYRIDINE-4-CARBONITRILES ARE SELECTIVE ALPHA 2B ANTAGONISTS
  申请人：CAPPIELLO John R.

  公开号：US20100076194A1

  公开（公告）日：2010-03-25

  The present invention provides compounds which are subtype selective antagonists of the alpha 2B adrenergic receptor and have no or weak antagonist activity at the other alpha adrenergic receptors. These compounds are useful as tool compounds and, in particular, as tool compounds for developing compounds useful in treating diseases that include but are not limited to chronic pain, visceral pain, corneal pain, neuropathic pain, glaucoma, ischemic neuropathies and other neurodegenerative diseases and conditions. These compounds are also useful as compounds for treating myocardial infarction and preventing acute coronary events. The compounds of this invention are 3-amino-1-thioxo or oxo-1,2,5,6,7,8-hexahydro-2,7-naphthyridine-4-carbonitriles or substituted derivatives thereof.

  本发明提供了一种亚型选择性的α2B肾上腺素受体拮抗剂化合物，对其他α肾上腺素受体没有或仅有微弱的拮抗活性。这些化合物可用作工具化合物，特别是用于开发治疗慢性疼痛、内脏疼痛、角膜疼痛、神经病理性疼痛、青光眼、缺血性神经病和其他神经退行性疾病和病症的化合物。这些化合物还可用作治疗心肌梗死和预防急性冠状动脉事件的化合物。本发明的化合物是3-氨基-1-硫代或氧代-1,2,5,6,7,8-六氢-2,7-萘啶-4-碳腈或其取代衍生物。
• SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS
  申请人：Allergan, Inc.

  公开号：EP2334676A1

  公开（公告）日：2011-06-22
• SUBSTITUTED 3-AMINO-1-OXO OR THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTHYRIDINE-4-CARBONITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS
  申请人：ALLERGAN, INC.

  公开号：EP2334676B1

  公开（公告）日：2016-07-06
• [EN] SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS<br/>[FR] 3-AMINO-1-OXO OU THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTYRIDINE-4-CARBONITRILES SUBSTITUÉS EN TANT QU'ANTAGONISTES SÉLECTIFS D'ALPHA-2B
  申请人：ALLERGAN INC

  公开号：WO2010033393A1

  公开（公告）日：2010-03-25

  The present invention provides compounds which are subtype selective antagonists of the alpha 2B adrenergic receptor and have no or weak antagonist activity at the other alpha adrenergic receptors. These compounds are useful as tool compounds and, in particular, as tool compounds for developing compounds useful in treating diseases that include but are not limited to chronic pain, visceral pain, corneal pain, neuropathic pain, glaucoma, ischemic neuropathies and other neurodegenerative diseases and conditions. These compounds are also useful as compounds for treating myocardial infarction and preventing acute coronary events. The compounds of this invention are 3-amino-1-thioxo or oxo-1,2,5,6,7,8-hexahydro-2,7-naphthyridine-4-carbonitriles or substituted derivatives thereof.