9H-Xanthen-9-one, 1-(phenylmethoxy)- | 127731-69-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 9H-Xanthen-9-one, 1-(phenylmethoxy)-
• 英文别名: 1-phenylmethoxyxanthen-9-one
• CAS: 127731-69-5
• 化学式: C₂₀H₁₄O₃
• 分子量: 302.3
• InChiKey: RWHYTIOCPDSYLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-羟基-9H-氧杂蒽-9-酮 、 氯化苄 、 potassium carbonate 生成 9H-Xanthen-9-one, 1-(phenylmethoxy)-
  参考文献：
  名称：

  CHARLTON, JAMES J.;SAYEED, VILAYAT A.;KOH, KEVIN;LAU, WING FUN;LAI, HOI K+, J. AGR. AND FOOD CHEM., 38,(1990) N, C. 1719-1723

  摘要：

  DOI：

文献信息

• Aromatic sulfenates for type I phototherapy
  申请人：MALLINCKRODT INC.

  公开号：US20030158127A1

  公开（公告）日：2003-08-21

  The present invention discloses novel sulfenate derivatives and their bioconjugates for phototherapy of tumors and other lesions. The sulfenates of the present invention are designed to absorb low-energy ultraviolet, visible, or near-infrared (NIR) region of the electromagnetic spectrum. The phototherapeutic effect is caused by direct interaction of free radicals, the reactive intermediate produced upon photofragmentation of the sulfenate moiety, with the tissue of interest.

  本发明公开了用于肿瘤和其他病变光疗的新型亚磺酸盐衍生物及其生物结合剂。本发明的亚硫酸盐可吸收电磁波谱中的低能量紫外线、可见光或近红外（NIR）区域。光疗效果是由自由基（亚磺酸盐分子光碎裂时产生的活性中间体）与相关组织的直接相互作用引起的。
• CHARLTON, JAMES J.;SAYEED, VILAYAT A.;KOH, KEVIN;LAU, WING FUN;LAI, HOI K+, J. AGR. AND FOOD CHEM., 38,(1990) N, C. 1719-1723
  作者：CHARLTON, JAMES J.、SAYEED, VILAYAT A.、KOH, KEVIN、LAU, WING FUN、LAI, HOI K+

  DOI：——

  日期：——
• AROMATIC SULFENATES FOR TYPE I PHOTOTHERAPY
  申请人：MALLINCKRODT INC.

  公开号：EP1409516A2

  公开（公告）日：2004-04-21
• EP1409516A4
  申请人：——

  公开号：EP1409516A4

  公开（公告）日：2006-02-15
• DYE COMPOUNDS AS PHOTOACTIVE AGENTS
  申请人：Rajagopalan Raghavan

  公开号：US20080139786A1

  公开（公告）日：2008-06-12

  Novel azo, azide, and sulfenate photoactive compounds and methods using the compounds for photodiagnostic and/or phototherapeutic procedures. The compounds have the formula E-L-DYE-X—Y, wherein DYE is a photoactive component comprising a photoactive diagnostic agent, a photoactive type 1 agent, a photoactive type 2 agent, or a combination thereof; Y is a photoactive component comprising a photoactive type 1 agent, a photoactive type 2 agent, or a combination thereof; E is a targeting component for targeting the compound to an anatomical and/or physiological site of a patient; L is a linking component for linking E to DYE; and X is a linking component for linking DYE to Y.