1-boc-3-(香豆素-7-基)-咪唑烷-2-酮 | 1004548-98-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 中文名称: 1-boc-3-(香豆素-7-基)-咪唑烷-2-酮
• 英文名称: 1-boc-3-(coumarin-7-yl)-imidazolidin-2-one
• 英文别名: Tert-butyl 2-oxo-3-(2-oxochromen-7-yl)imidazolidine-1-carboxylate
• CAS: 1004548-98-4
• 化学式: C₁₇H₁₈N₂O₅
• 分子量: 330.34
• InChiKey: QQJIERAAMAIHFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-boc-3-(香豆素-7-基)-咪唑烷-2-酮 在 硫酸 、 水 、 碳酸氢钠 作用下， 以 水 为溶剂， 反应 7.0h， 以86%的产率得到7-(2-amino-ethylamino)-coumarin
  参考文献：
  名称：

  WO2008/13997

  摘要：

  公开号：
• 作为产物：
  描述：

  7-香豆基三氟甲烷磺酸酯 、 tert-butyl 2-oxoimidazolidine-1-carboxylate 在 bis(dibenzylideneacetone)-palladium⁽⁰⁾ caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以78%的产率得到1-boc-3-(香豆素-7-基)-咪唑烷-2-酮
  参考文献：
  名称：

  WO2008/13997

  摘要：

  公开号：

文献信息

• Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters
  申请人：Gubernator Niko Gert

  公开号：US20100035279A1

  公开（公告）日：2010-02-11

  The present invention relates to compounds of the general structure: wherein Y is O, X is O, bond α is absent and bond β is present, or Y is H, X is CH, bond α is present, and bond β is absent; atom Z is a carbon and bonds χ, δ and γ are present, or is a nitrogen and bonds χ, δ and γ are absent; R 1 is —H, —OH, —O—R 7 , —N(H)—R 8 , —N(H)—(CH 2 ) n —NH 2 , —N(R 9 )(R 10 ), or a piperazine cation; R 2 is either covalently bound to R 9 , or is —H, or is covalently bound to R 3 so as to form a substituted or unsubstituted pyrrole or R 2 is covalently bound to R 9 or R 8 or R 7 ; or R 1 and R 2 are covalently joined to form an aromatic ring; R 3 is either covalently bound to R 2 so as to form a pyrrole, or is, inter alia, —H, —OH, alkyl, or when Z is nitrogen R 3 is ═O; R 4 is, inter alia, —H, —OH, or —R 11 NH 2 ; R 5 is, inter alia, —H, —OH, or —R 12 NH 2 , and R 6 is either is covalently bound to R 10 or is —H, or R 6 is covalently bound to R 10 or R 8 or R 7 . This invention also provides processes for making the compounds as well as methods for monitoring activity of monoamine transporters or treating monoamine transporter-associated diseases by employing the compounds.

  本发明涉及一般结构的化合物：其中Y为O，X为O，α键不存在且β键存在，或者Y为H，X为CH，α键存在且β键不存在；原子Z为碳，键χ，δ和γ存在，或为氮，键χ，δ和γ不存在；R1为-H，-OH，-O-R7，-N（H）-R8，-N（H）-（CH2）n-NH2，-N（R9）（R10）或哌嗪阳离子；R2要么与R9共价结合，要么为-H，要么与R3共价结合以形成取代或未取代的吡咯，或者R2与R9或R8或R7共价结合形成芳香环；R1和R2共价结合形成芳香环；R3要么与R2共价结合形成吡咯，要么为-H，-OH，烷基，或当Z为氮时，R3为═O；R4为-H，-OH或-R11NH2；R5为-H，-OH或-R12NH2，R6要么与R10共价结合，要么为-H，或者R6与R10或R8或R7共价结合。本发明还提供制备这些化合物的方法，以及利用这些化合物监测单胺转运体活性或治疗单胺转运体相关疾病的方法。
• FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS
  申请人：of New York The Trustees of Columbia University in the City

  公开号：US20130190497A1

  公开（公告）日：2013-07-25

  The present invention relates to compounds of the general structure: wherein Y is O, X is O, bond α is absent and bond β is present, or Y is H, X is CH, bond α is present, and bond β is absent; atom Z is a carbon and bonds χ, δ and γ are present, or is a nitrogen and bonds χ, δ and γ are absent; R 1 is —H, —OH, —O—R 7 , —N(H)—R 8 , —N(H)—(CH 2 ) n —NH 2 , —N(R 9 )(R 10 ), or a piperazine cation; R 2 is either covalently bound to R 9 , or is —H, or is covalently bound to R 3 so as to form a substituted or unsubstituted pyrrole or R 2 is covalently bound to R 9 or R 8 or R 7 ; or R 1 and R 2 are covalently joined to form an aromatic ring; R 3 is either covalently bound to R 2 so as to form a pyrrole, or is, inter alia, —H, —OH, alkyl, or when Z is nitrogen R 3 is ═O; R 4 is, inter alia, —H, —OH, or —R 11 NH 2 ; R 5 is, inter alia, —H, —OH, or —R 12 NH 2 , and R 6 is either is covalently bound to R 10 or is —H, or R 6 is covalently bound to R 10 or R 8 or R 7 . This invention also provides processes for making the compounds as well as methods for monitoring activity of monoamine transporters or treating monoamine transporter-associated diseases by employing the compounds.

  本发明涉及以下通用结构的化合物：其中Y为O，X为O，键α不存在，键β存在，或Y为H，X为CH，键α存在，键β不存在；原子Z为碳并存在键χ，δ和γ，或为氮并不存在键χ，δ和γ；R1为—H，—OH，—O—R7，—N(H)—R8，—N(H)—(CH2)n—NH2，—N(R9)(R10)，或哌嗪阳离子；R2要么与R9共价结合，要么为—H，要么与R3共价结合以形成取代或未取代的吡咯，或R2与R9或R8或R7共价结合；或R1和R2共价结合以形成芳香环；R3要么与R2共价结合以形成吡咯，要么为—H，—OH，烷基，或者当Z为氮时，R3为═O；R4为—H，—OH，或—R11NH2；R5为—H，—OH，或—R12NH2，R6要么与R10共价结合，要么为—H，要么与R10或R8或R7共价结合。本发明还提供制备这些化合物的方法以及利用这些化合物监测单胺转运体活性或治疗单胺转运体相关疾病的方法。
• US8337941B2
  申请人：——

  公开号：US8337941B2

  公开（公告）日：2012-12-25
• [EN] FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS<br/>[FR] SUBSTRATS FLUORESCENTS DE TRANSPORTEURS DE MONOAMINES EN TANT QUE FAUX NEUROTRANSMETTEURS OPTIQUES
  申请人：UNIV COLUMBIA

  公开号：WO2008013997A2

  公开（公告）日：2008-01-31

  [EN] The present invention relates to compounds of the general structure: wherein Y is O, X is O, bond a is absent and bond ß is present, or Y is H, X is CH, bond a is present, and bond ß is absent; atom Z is a carbon and bonds ?, d and ? are present, or is a nitrogen and bonds ?, d and ? are absent; R₁ is -H, -OH, -O-R₇, -N(H) -R₈, -N (H) - (CH₂) _n-NH₂, -N(R₉) (R₁₀), or a piperazine cation; R₂ is either covalently bound to R₉, or is -H, or is covalently bound to R₃ so as to form a substituted or unsubstituted pyrrole or R₂ is covalently bound to R₉ or R₈ or R₇; or R₁ and R₂ are covalently joined to form an aromatic ring; R₃ is either covalently bound to R₂ so as to form a pyrrole, or is, inter alia, -H, -OH, alkyl, or when Z is nitrogen R₃ is =O; R₄ is, inter alia, -H, -OH, or -R₁₁NH₂; R₅ is, inter alia, -H, -OH, or -R₁₂NH₂, and R₆ is either is covalently bound to R₁₀ or is -H, or R₆ is covalently bound to R₁₀ or R₈ or R₇. This invention also provides processes for making the compounds as well as methods for monitoring activity of monoamine transporters or treating monoamine transporter-associated diseases by employing the compounds.
  [FR] L'invention porte sur des composés de formule générale (I) dans laquelle: Y est O, X est O, la liaison a est absente et la liaison ß est présente, ou Y est H, X est CH, la liaison a est présente, et la liaison ß est absent; l'atome Z est un carbone et les liaisons ?, d et ? sont présente, ou est azote et les liaisons ?, d et ? sont absentes; R1 est -H, -OH, -O-R7, -N(H) -R8, -N (H) - (CH2) n-NH2, -N(R9) (R10), ou un cation de pipérazine; R2 est soit lié par covalence à R9, ou est -H, ou est lié par covalence à R3 pour former un pyrrole substitué ou non substitué, ou R2 lié par covalence à R9 ou R8 ou R7; ou R1 et R2 sont liés par covalence pour former un cycle aromatique; R3 est soit lié par covalence à R2 former un pyrrole, ou est, entre autres, -H, -OH, alkyle, ou si Z est azote R3 est = O; R4 est, entre autres, -H, -OH, ou -R11NH2; R5 est, entre autres, -H, -OH, ou -R12NH2, et R6 est soit lié par covalence à R10 ou est -H, ou R6 est lié par covalence à R10 ou R8 ou R7. L'invention porte également sur le procédé d'élaboration desdits composés et sur des méthodes de surveillance de l'activité de transporteurs de monoamines, ou sur des méthodes de traitement de maladies associées aux transporteurs de monoamines par utilisation desdits composés.
• WO2008/13997
  申请人：——

  公开号：——

  公开（公告）日：——