N-[(1S)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ylidene]hydroxylamine | 40514-83-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N-[(1S)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ylidene]hydroxylamine
• 英文别名: N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
• CAS: 40514-83-8
• 化学式: C₁₀H₁₇NO
• 分子量: 167.25
• InChiKey: POYGWXWGOBEMAT-MHPPCMCBSA-N

物化性质

• 沸点：
  243.0±9.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  32.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  盐酸羟胺 、 sodium acetate 、 葑酮 在 水 作用下， 以 水 、 甲醇 为溶剂， 反应 48.0h， 以to give the title product (20 g)的产率得到N-[(1S)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ylidene]hydroxylamine
  参考文献：
  名称：

  Cannabinoid receptor inverse agonists and neutral antagonists as therapeutic agents for the treatment of bone disorders

  摘要：

  本发明涉及大麻素（CB）受体的反向激动剂和中性拮抗剂，尤其是CB1和CB2的反向激动剂和中性拮抗剂，例如某些吡唑化合物；它们用于抑制破骨细胞（例如抑制破骨细胞的存活、形成和/或活动），和/或抑制骨吸收；它们用于治疗骨疾病，例如由破骨细胞介导的疾病（例如破骨细胞活性增加）和/或以（例如增加的）骨吸收为特征的疾病，例如骨质疏松症（例如与炎症无关的骨质疏松症；例如与遗传倾向、性激素缺乏或衰老有关的骨质疏松症）、癌症相关骨疾病和Paget骨病。

  公开号：

  US20060172019A1

文献信息

• 3-pyrazolecarboxamide derivatives having cannabinoid receptor affinity
  申请人：Sanofi

  公开号：US05925768A1

  公开（公告）日：1999-07-20

  The present invention relates to compounds of the formula ##STR1## in which: X.sub.1 is a group --NR.sub.1 R.sub.2 or a group --OR.sub.2 ; g.sub.2, g.sub.3, g.sub.4, g.sub.5, g.sub.6 and w.sub.2, w.sub.3, w.sub.4, w.sub.5, w.sub.6 are identical or different and are each independently hydrogen, a halogen atom, a (C.sub.1 -C.sub.4)alkyl, a (C.sub.1 -C.sub.4)alkoxy, a trifluoromethyl, a nitro or a (C.sub.1 -C.sub.4)alkylthio, with the proviso that at least one of the substituents g.sub.2, g.sub.3, g.sub.4, g.sub.5, g.sub.6 and at least one of the substituents w.sub.2, w.sub.3, w.sub.4, w.sub.5, w.sub.6 are other than hydrogen; R.sub.1 is hydrogen or a (C.sub.1 -C.sub.4)alkyl; R.sub.2 is a non-aromatic (C.sub.3 -C.sub.15)carbocyclic radical which is unsubstituted or monosubstituted or polysubstituted by a substituent selected from a halogen atom, a (C.sub.1 -C.sub.4)alkyl and a (C.sub.1 -C.sub.4)alkoxy; R.sub.3 is hydrogen or a group --CH.sub.2 R.sub.6 ; and R.sub.4 and R.sub.5 are each independently a hydrogen, a (C.sub.1 -C.sub.4)alkyl or a trifluoromethyl; or else R.sub.4 is hydrogen and R.sub.5 and w.sub.6 together constitute an ethylene or trimethylene radical; and R.sub.6 is hydrogen, a (C.sub.1 -C.sub.4)alkyl, a fluorine, a hydroxyl, a (C.sub.1 -C.sub.5)alkoxy, a (C.sub.1 -C.sub.5)alkylthio, a hydroxy(C.sub.1 -C.sub.5)alkoxy, a cyano, a (C.sub.1 -C.sub.5)alkylsulfinyl or a (C.sub.1 -C.sub.5)alkylsulfonyl with the proviso that when the substituents g.sub.2, g.sub.3, g.sub.4, g.sub.5 and/or g.sub.6 are a (C.sub.1 -C.sub.4)alkyl R.sub.6 is only hydrogen; to a process for their preparation and to the pharmaceutical compositions in which they are present. These compounds have a good affinity for the peripheral cannabinoid receptors.

  本发明涉及以下公式的化合物：##STR1## 其中：X.sub.1是一个基团--NR.sub.1 R.sub.2或一个基团--OR.sub.2；g.sub.2，g.sub.3，g.sub.4，g.sub.5，g.sub.6和w.sub.2，w.sub.3，w.sub.4，w.sub.5，w.sub.6相同或不同，每个独立地为氢、卤素原子、(C.sub.1-C.sub.4)烷基、(C.sub.1-C.sub.4)烷氧基、三氟甲基、硝基或(C.sub.1-C.sub.4)烷基硫醇，但要求至少有一个取代基g.sub.2，g.sub.3，g.sub.4，g.sub.5，g.sub.6和至少有一个取代基w.sub.2，w.sub.3，w.sub.4，w.sub.5，w.sub.6不是氢；R.sub.1是氢或(C.sub.1-C.sub.4)烷基；R.sub.2是非芳香性(C.sub.3-C.sub.15)碳环基，未取代或单取代或多取代，所述取代基选自卤素原子、(C.sub.1-C.sub.4)烷基和(C.sub.1-C.sub.4)烷氧基；R.sub.3是氢或基团--CH.sub.2 R.sub.6；R.sub.4和R.sub.5各自独立地为氢、(C.sub.1-C.sub.4)烷基或三氟甲基；否则，R.sub.4是氢，而R.sub.5和w.sub.6共同构成乙烯或三亚甲基基团；R.sub.6是氢、(C.sub.1-C.sub.4)烷基、氟、羟基、(C.sub.1-C.sub.5)烷氧基、(C.sub.1-C.sub.5)烷硫基、羟基(C.sub.1-C.sub.5)烷氧基、氰基、(C.sub.1-C.sub.5)烷基亚砜或(C.sub.1-C.sub.5)烷基磺酰基，但要求当取代基g.sub.2，g.sub.3，g.sub.4，g.sub.5和/或g.sub.6为(C.sub.1-C.sub.4)烷基时，R.sub.6仅为氢；以及制备它们的过程和它们存在的药物组合物。这些化合物具有与周围的大麻素受体良好的亲和力。
• Cannabinoid receptor inverse agonists and neutral antagonists as therapeutic agents for the treatment of bone disorders
  申请人：Ralston Hamilton Stuart

  公开号：US20060172019A1

  公开（公告）日：2006-08-03

  The present invention pertains to cannabinoid (CB) receptor inverse agonists and neutral antagonists, and especially CB1 and CB2 inverse agonists and neutral antagonists; such as, for example, certain pyrazole compounds; their use in the inhibition of osteoclasts (for example, the inhibition of the survival, formation, and/or activity of osteoclasts), and/or in the inhibition of bone resorption; their use in connection with treatment of bone disorders, such as conditions mediated by osteoclasts (e.g., increased osteoclast activity) and/or characterised by (e.g., increased) bone resorption, such as osteoporosis (e.g., osteoporosis not associated with inflammation; e.g., osteoporosis associated with a genetic predisposition, sex hormone deficiency, or ageing), cancer associated bone disease, and Paget's disease of bone.

  本发明涉及大麻素（CB）受体的反向激动剂和中性拮抗剂，尤其是CB1和CB2的反向激动剂和中性拮抗剂，例如某些吡唑化合物；它们用于抑制破骨细胞（例如抑制破骨细胞的存活、形成和/或活动），和/或抑制骨吸收；它们用于治疗骨疾病，例如由破骨细胞介导的疾病（例如破骨细胞活性增加）和/或以（例如增加的）骨吸收为特征的疾病，例如骨质疏松症（例如与炎症无关的骨质疏松症；例如与遗传倾向、性激素缺乏或衰老有关的骨质疏松症）、癌症相关骨疾病和Paget骨病。