9-氮杂双环[6.2.0]癸-4-烯-10-酮 | 4946-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 中文名称: 9-氮杂双环[6.2.0]癸-4-烯-10-酮
• 英文名称: 9-azabicyclo[6.2.0]dec-4-en-10-one
• CAS: 4946-37-6
• 化学式: C₉H₁₃NO
• mdl: MFCD10699281
• 分子量: 151.21
• InChiKey: LGFGPHLZVAEHME-UHFFFAOYSA-N

物化性质

• 熔点：
  110-113 °C(Solv: isopropyl ether (108-20-3))
• 沸点：
  325.1±42.0 °C(Predicted)
• 密度：
  1.048±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• PRETARGETING KIT FOR IMAGING OR THERAPY COMPRISING A TRANS - CYCLOOCTENE DIENOPHILE AND A DIENE
  申请人：Koninklijke Philips N.V.

  公开号：EP2707035A1

  公开（公告）日：2014-03-19
• PRETARGETING KIT FOR IMAGING OR THERAPY COMPRISING A TRANS-CYCLOOCTENE DIENOPHILE AND A DIENE
  申请人：Tagworks Pharmaceuticals B.V.

  公开号：EP2707035B1

  公开（公告）日：2020-04-01
• US9913921B2
  申请人：——

  公开号：US9913921B2

  公开（公告）日：2018-03-13
• [EN] PRETARGETING KIT FOR IMAGING OR THERAPY COMPRISING A TRANS - CYCLOOCTENE DIENOPHILE AND A DIENE<br/>[FR] TROUSSE DE PRÉ-CIBLAGE POUR L'IMAGERIE OU LA THÉRAPIE COMPORTANT UN DIÉNOPHILE TRANS-CYCLO-OCTÈNE ET UN DIÈNE
  申请人：KONINKL PHILIPS ELECTRONICS NV

  公开号：WO2012153254A1

  公开（公告）日：2012-11-15

  Described is a pretargeting method, and related kits, for targeted medical imaging and/or therapeutics, wherein use is made of abiotic reactive chemical groups that exhibit bio-orthogonal reactivity towards each other. The invention involves the use of [4+2] inverse electron demand (retro) Diels- Alder chemistry in providing the coupling between a Pre-targeting Probe and an Effector Probe. To this end one of these probes comprises an electron-deficient tetrazine or other suitable diene, and the other an E-cyclooctene which has a flattened structure as a result of the position of at least two exocyclic bonds.