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(+)-Epibatidine dihydrochloride | 166374-43-2

中文名称
——
中文别名
——
英文名称
(+)-Epibatidine dihydrochloride
英文别名
2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane;dihydrochloride
(+)-Epibatidine dihydrochloride化学式
CAS
166374-43-2
化学式
C11H15Cl3N2
mdl
——
分子量
281.6
InChiKey
DGNNWUINALNROG-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.19
  • 重原子数:
    16
  • 可旋转键数:
    1
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.55
  • 拓扑面积:
    24.9
  • 氢给体数:
    3
  • 氢受体数:
    2

反应信息

  • 作为反应物:
    描述:
    (+)-Epibatidine dihydrochloride三乙胺二氯甲烷 为溶剂, 反应 1.0h, 生成 epibatidine
    参考文献:
    名称:
    Nicotinic receptor agonists for the treatment of inflammatory diseases
    摘要:
    尼古丁受体激动剂、类似物或其衍生物用于治疗炎症性肺部疾病,并且包括尼古丁受体激动剂、类似物或其衍生物的制药组合物。公式中R1、R2、Xa和Ya的化合物定义如本文所述。
    公开号:
    US08551983B2
  • 作为产物:
    描述:
    epibatidineN,N-二异丙基乙胺盐酸 在 ethyl 、 silica gel 作用下, 以 乙腈乙醚 为溶剂, 反应 48.0h, 以to give 25 mg of the compound 45 as a hygroscopic solid的产率得到(+)-Epibatidine dihydrochloride
    参考文献:
    名称:
    7-azabicyclo[2.2.1]-heptane and -heptene derivatives as cholinergic receptor ligands
    摘要:
    本文披露了可用于治疗与胆碱能活性降低或增加有关的疾病的7-Aza-bicyclo[2.2.1]庚烷和庚烯衍生物,可用于哺乳动物,包括人类。
    公开号:
    US06255490B1
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文献信息

  • 7-Azabicyclo\x9b2.2.1!-heptane and -heptene derivatives as cholinergic
    申请人:University of Virginia
    公开号:US05817679A1
    公开(公告)日:1998-10-06
    7-Aza-bicyclo\x9b2.2.1!-heptane and -heptene derivatives are disclosed that can be administered to a mammal, including a human, to treat disorders associated with a decrease or increase in cholinergic activity.
    本文披露了可用于治疗与胆碱能活性降低或增加有关的疾病的7-Aza-bicyclo\x9b2.2.1!-庚烷和-庚烯衍生物,可用于哺乳动物,包括人类。
  • Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases
    申请人:Cormier Yvon
    公开号:US20080221085A1
    公开(公告)日:2008-09-11
    Nicotine receptor agonists or analogs or derivatives thereof for treating inflammatory pulmonary diseases, and pharmaceutical compositions including nicotine receptor agonists or analogs or derivatives thereof. Compounds of formula wherein R1, R2, Xa and Ya are as defined herein are also provided.
    尼古丁受体激动剂或类似物或其衍生物用于治疗炎症性肺部疾病,以及包括尼古丁受体激动剂或类似物或其衍生物的制药组合物。本文还提供了式中R1、R2、Xa和Ya所定义的化合物。
  • 7-azabicyclo[2.2.1]-heptane and -heptene derivatives as cholinergic
    申请人:UCB S.A. - DTB
    公开号:US06060473A1
    公开(公告)日:2000-05-09
    7-Azabicyclo[2.2.1]-heptane and -heptene derivatives are disclosed that can be administered to a mammal, including a human, to treat disorders associated with a decrease or increase in cholinergic activity.
    本文披露了可以用于治疗与胆碱能活性降低或增加相关的疾病的7-Azabicyclo[2.2.1]-庚烷和-庚烯衍生物,可用于哺乳动物,包括人类。
  • 7-Azabicyclo-[2.2.1]-heptane and -heptene derivatives as analgesics and
    申请人:University of Virginia
    公开号:US06117889A1
    公开(公告)日:2000-09-12
    7-Azabicyclo[2.2.1]-heptane and -heptene derivatives with analgesic or anti-inflammatory activity are disclosed that can be administered to a mammal, including a human, to treat pain and inflammatory disorders. A method for the treatment of pain or inflammatory disorders is also presented that includes administering an effective amount of the compound or its pharmaceutically acceptable salt or derivative, or mixtures thereof, to a host in need of analgesic anti-inflammatory therapy, optionally in a pharmaceutically acceptable carrier or diluent.
    本文披露了具有镇痛或抗炎活性的7-Azabicyclo[2.2.1]-heptane和-heptene衍生物,可用于治疗疼痛和炎症性疾病的哺乳动物,包括人类。本文还提出了一种治疗疼痛或炎症性疾病的方法,包括向需要镇痛抗炎治疗的宿主投与化合物或其药学上可接受的盐或衍生物的有效量,或其混合物,可选用药学上可接受的载体或稀释剂。
  • NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES
    申请人:CORMIER Yvon
    公开号:US20110301152A1
    公开(公告)日:2011-12-08
    Nicotine receptor agonists or analogs or derivatives thereof for treating inflammatory pulmonary diseases, and pharmaceutical compositions including nicotine receptor agonists or analogs or derivatives thereof. Compounds of formula wherein R1, R2, Xa and Ya are as defined herein are also provided.
    尼古丁受体激动剂或类似物或其衍生物用于治疗炎症性肺部疾病,以及包括尼古丁受体激动剂或类似物或其衍生物的制药组合物。还提供以下式子中R1、R2、Xa和Ya定义如下的化合物。
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同类化合物

2-(2'-氟-5'-吡啶基)-7-氮杂双环(2.2.1)庚烷 (±)-三色素蛙素 (1S,4R,6S)-6-(6-氯吡啶-3-基)-7-氮杂双环[2.2.1]庚烷 (1R,2R,4S)-2-(6-甲氧基吡啶-3-基)-7-氮杂双环[2.2.1]庚烷 2-fluoro-3-(2'-amino-4'-pyridinyl)deschlorocpibatidine 7-tert-butoxycarbonyl-2-exo-[2'-amino-3'-(pyridin-4-yl)-5'-pyridinyl]-7-azabicyelo[2.2.1]heptane (+/-)-N-Boc-epibatidine 7-carbethoxy-2β-(2-chloro-5-pyridinyl)-3α-carbomethoxy-7-azabicyclo<2.2.1>heptane 7-tert-butoxycarbonyl-2-exo-(2’-fluoro-3‘-(4-benzenesulfonamide)-5‘-pyridinyl)-7-azabicyclo[2.2.1]heptane 7-tert-butoxycarbonyl-2-exo-(2-chloro-5-pyridyl)-7-azabicyclo[2.2.1]heptan-3-one 7-tert-butoxycarbonyl-2-endo-(2-chloro-5-pyridyl)-7-azabicyclo[2.2.1]heptan-3-one Tert-butyl 2-(6-amino-5-bromopyridin-3-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate (+/-)-epibatidine dihydrochloride (+)-Epibatidine dihydrochloride 7-carbomethoxy-2-(2-chloro-5-pyridyl)-7-aza-bicyclo[2.2.1]heptane (1R,2R,4S)-2-(6-Methoxy-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester 2-(6-Chloro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (2S)-2-(6-Chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane Dtxcid1028865 4-((1R,2R,4S)-5-7-Aza-bicyclo[2.2.1]hept-2-yl-2-fluoro-pyridin-3-yl)-benzonitrile [(1R,2R,3S,4S)-7-Benzyl-3-(6-chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hept-2-yl]-((1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-aza-tricyclo[5.2.1.01,5]dec-4-yl)-methanone (-)-epibatidine exo-2-(2'-fluoro-5'-pyridyl)-7-azabicyclo<2.2.1>heptane (1S,2S,4S)-2-(6-fluoropyridin-3-yl)-7-azabicyclo[2.2.1]heptane (1S,2R,4S)-2-(6-fluoropyridin-3-yl)-7-azabicyclo[2.2.1]heptane (+/-)-Epibatidine (1S,4R)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane 2-(6-Bromopyridin-3-yl)-7-methyl-7-azabicyclo[2.2.1]heptane 2-(6-Chloro-2-methylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane;hydrochloride 6'-Methylepibatidine 2-(6-(18F)fluoranyl-5-phenylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane (1S,2R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane (1S,2R,4R)-2-(6-fluoropyridin-3-yl)-7-azabicyclo[2.2.1]heptane (1S,2S,4R)-2-(6-fluoropyridin-3-yl)-7-azabicyclo[2.2.1]heptane 2-(6-chloropyridin-3-yl)-7-(111C)methyl-7-azabicyclo[2.2.1]heptane (2R)-2-(6-(18F)fluoranylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane (-)-Epibatidine dihydrochloride 5-(7-Azabicyclo[2.2.1]heptan-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 3-(6-Chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptan-2-one 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine;(1S,2S,4R)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane 2-(6-(18F)fluoranylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane 2-(6-(125I)iodanylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane 2-(6-(123I)iodanylpyridin-3-yl)-7-azabicyclo[2.2.1]heptane (3R,4S)-3-(6-chloro-3-pyridyl)-7-azabicyclo[2.2.1]heptane epibatidine