4-(1-Amino-2-hydroxypropan-2-yl)benzene-1,2-diol | 67992-01-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(1-Amino-2-hydroxypropan-2-yl)benzene-1,2-diol
• CAS: 67992-01-2
• 化学式: C₉H₁₃NO₃
• 分子量: 183.2
• InChiKey: XPJCJBZNTQSXJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  86.7
• 氢给体数：
  4
• 氢受体数：
  4

文献信息

• METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS
  申请人：TUFTS MEDICAL CENTER

  公开号：US20160052982A1

  公开（公告）日：2016-02-25

  The present application provides methods for preparing soluble lipidated ligand agents comprising a ligand entity and a lipid entity, and in some embodiments, provides relevant parameters of each of these components, thereby enabling appropriate selection of components to assemble active agents for any given target of interest.

  本申请提供了制备可溶性脂质化配体药剂的方法，包括配体实体和脂质实体，并在某些实施例中提供了这些组分的相关参数，从而使得能够适当选择组分来组装出针对任何感兴趣的靶点的活性药剂。
• Combination of adrenergic agonist and tricyclo-alkylamine for relieving chronic pain without adverse side effects
  申请人：——

  公开号：US20020177592A1

  公开（公告）日：2002-11-28

  This invention discloses that a combination of two drugs, from two different and previously unrelated categories, provides effective and long-lasting relief from neuropathic pain. Both drugs can be taken orally, in a convenient, painless, non-invasive manner that does not require injections. One drug in this combination is an &agr;2 adrenergic agonist, exemplified by clonidine. The other drug in the pain-relieving combination has a tri-cyclo-alkyl-amine (TCAA) structure. At least some TCAA drugs have antagonist (receptor-blocking) activity at two entirely different classes of neuronal receptors: the muscarinic subclass of acetylcholine (ACh) receptors, and the NMDA subclass of glutamate receptors. Such drugs include ethopropazine, normally used as an anti-cholinergic drug, and desipramine, normally used as an anti-depressant. Tests by the Applicants have shown that at least some TCAA drugs can relieve neuropathic pain to a limited extent, but at the doses required to relieve pain, they cause adverse side effects, and any pain relief is relatively brief and short-lived. However, when a TCAA drug such as ethopropazine is administered together with an &agr;2 adrenergic agonist such as clonidine, these drugs mutually potentiate one another's neuropathic pain-relieving action, and provide potent and sustained neuropathic pain relief, even when each agent is administered at a low dosage that is below its threshold for causing adverse side effects. Accordingly, this drug combination can provide safe and effective relief of neuropathic pain and possibly other types of chronic and/or intractable pain, at dosages which are so low that they do not pose serious risks of adverse side effects.

  这项发明揭示了两种药物的组合，来自两个不同且先前无关的类别，能够有效且持久地缓解神经痛。这两种药物可以口服，以方便、无痛、非侵入性的方式服用，无需注射。这种组合中的一种药物是α2肾上腺素受体激动剂，以克隆啶为例。缓解疼痛的另一种药物具有三环烷基胺（TCAA）结构。至少一些TCAA药物在两个完全不同的类别的神经受体上具有拮抗（受体阻断）活性：乙酰胆碱（ACh）受体的肌样亚类和谷氨酸受体的NMDA亚类。这些药物包括依托普拉辛，通常用作抗胆碱药物，以及地西泮，通常用作抗抑郁药物。申请人的测试显示，至少一些TCAA药物可以在一定程度上缓解神经痛，但在缓解疼痛所需的剂量下，它们会引起不良副作用，而且任何疼痛缓解都相对短暂。然而，当像依托普拉辛这样的TCAA药物与像克隆啶这样的α2肾上腺素受体激动剂一起使用时，这些药物相互增强彼此的神经痛缓解作用，并提供强效且持久的神经痛缓解，即使每种药物在低剂量下也能实现，低剂量低于引起不良副作用的阈值。因此，这种药物组合可以在剂量非常低的情况下提供神经痛和可能其他类型的慢性和/或难治性疼痛的安全有效缓解，不会带来严重的不良副作用风险。
• PREVENTIVE OR THERAPEUTIC AGENT FOR NEUROPATHIC PAIN
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：EP1813285A1

  公开（公告）日：2007-08-01

  The present invention provides medicinal agents that are useful for the prevention or treatment of neuropathic pain which comprises as an active ingredient a β2 adrenoceptor stimulant. In addition, the present invention provides formulations for the prevention or treatment of neuropathic pain such as painful diabetic neuropathy, postherpetic neuralgia, trigeminal neuralgia, or postoperative or traumatic chronic pain, that are characterized by the use in combination of an α2-adrenoceptor stimulant and a β2-adrenoceptor stimulant, or by containing a compound that has both α2-adrenoceptor stimulation and β2-adrenoceptor stimulation activities as an active ingredient or the like.

  本发明提供了可用于预防或治疗神经病理性疼痛的药剂，其活性成分包括β2肾上腺素受体兴奋剂。此外，本发明还提供了用于预防或治疗神经病理性疼痛的制剂，如糖尿病神经病变疼痛、带状疱疹后神经痛、三叉神经痛或术后或创伤性慢性疼痛、这些制剂的特点是结合使用 α2-肾上腺素受体刺激剂和 β2-肾上腺素受体刺激剂，或含有同时具有 α2-肾上腺素受体刺激活性和 β2-肾上腺素受体刺激活性的化合物作为活性成分或类似成分。
• Methods and systems for designing and/or characterizing soluble lipidated ligand agents
  申请人：Tufts Medical Center

  公开号：US10233219B2

  公开（公告）日：2019-03-19

  The present application provides methods for preparing soluble lipidated ligand agents comprising a ligand entity and a lipid entity, and in some embodiments, provides relevant parameters of each of these components, thereby enabling appropriate selection of components to assemble active agents for any given target of interest.

  本申请提供了制备由配体实体和脂质实体组成的可溶性脂质配体制剂的方法，在某些实施方案中，还提供了这些成分中每种成分的相关参数，从而能够适当选择成分，为任何给定的感兴趣的靶标组装活性制剂。
• Combined adamantane derivative and adrenergic agonist for relief of chronic pain without adverse side effects
  申请人：——

  公开号：US20020016319A1

  公开（公告）日：2002-02-07

  A combination of two drugs, from two different and previously unrelated categories, provides effective and long-lasting relief from neuropathic pain. Both drugs can be taken orally, in a convenient, painless, non-invasive manner that does not require injections. One drug in this combination is an &agr;2 adrenergic agonist, exemplified by clonidine. The other drug in the combination is an adamantane derivative which has NMDA antagonist activity, such as memantine. Tests described herein demonstrate that when memantine is administered together with an &agr;2 adrenergic agonist such as clonidine, these drugs mutually potentiate one another's neuropathic pain-relieving action, and provide potent and sustained neuropathic pain relief, even when each agent is administered at a low dosage that is below its threshold for causing adverse side effects. These results indicate that combining these two classes of drugs can provide safe and effective relief of neuropathic pain and possibly other types of chronic and/or intractable pain, without serious adverse side effects.

  这两种药物来自两个不同的、以前互不相关的类别，它们的组合能有效、持久地缓解神经性疼痛。这两种药物都可以口服，无需注射，方便、无痛、无创伤。这种组合中的一种药物是&agr;2肾上腺素能激动剂，例如氯尼丁。组合中的另一种药物是具有 NMDA 拮抗剂活性的金刚烷衍生物，如美金刚烷。本文所述的试验表明，当美金刚烷与&agr;2肾上腺素能激动剂（如氯尼丁）一起使用时，这些药物可相互增强对方的神经病理性疼痛缓解作用，并提供强效、持续的神经病理性疼痛缓解，即使每种药物的用量都很低，低于其引起不良副作用的阈值。这些结果表明，结合使用这两类药物可以安全有效地缓解神经性疼痛，也可能缓解其他类型的慢性和/或顽固性疼痛，而且不会产生严重的不良副作用。