3-iodo-5-carboxy-9(10H)-acridanone | 86611-62-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-iodo-5-carboxy-9(10H)-acridanone
• 英文别名: 9,10-dihydro-6-iodo-9-oxoacridine-4-carboxylic acid；6-Iodo-9-oxo-9,10-dihydroacridine-4-carboxylic acid；6-iodo-9-oxo-10H-acridine-4-carboxylic acid
• CAS: 86611-62-3
• 化学式: C₁₄H₈INO₃
• 分子量: 365.127
• InChiKey: UPVSWPJPWVOUAE-UHFFFAOYSA-N

物化性质

• 沸点：
  529.0±50.0 °C(Predicted)
• 密度：
  1.889±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-iodo-5-carboxy-9(10H)-acridanone 、 对硝基苯酚 生成 (4-nitrophenyl) 6-iodo-9-oxo-10H-acridine-4-carboxylate
  参考文献：
  名称：

  DENNY, W. A.;ATWELL, G. J.;BAGULEY, B. C., J. MED. CHEM., 1983, 26, N 11, 1619-1625

  摘要：

  DOI：
• 作为产物：
  描述：

  4-溴-2-氯苯甲酸 在 水 、 铜 、 potassium carbonate 、 三氯氧磷 作用下， 以 乙二醇乙醚 为溶剂， 反应 1.67h， 生成 3-iodo-5-carboxy-9(10H)-acridanone
  参考文献：
  名称：

  Stewart, Georgina M.; Rewcastle, Gordon W.; Denny, William A., Australian Journal of Chemistry, 1984, vol. 37, # 9, p. 1939 - 1950

  摘要：

  DOI：

文献信息

• LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS
  申请人：Madelmont Jean-Claude

  公开号：US20100061928A1

  公开（公告）日：2010-03-11

  The present invention relates to the use of a compound of formula (I): in which R 1 represents a radionuclide, Ar represents an aromatic nucleus, m is an integer varying from 2 to 4, R 2 and R 3 represent, independently of one another, a hydrogen atom, a (C 1 -C 6 )alkyl group, a (C 1 -C 6 )alkenyl group or an aryl group chosen from a phenyl, benzyl, imidazolyl, pyridyl, pyrimidinyl, pyrazinyl, indolyl, indazolyl, furyl and thienyl group, and their addition salts with pharmaceutically acceptable acids, in the preparation of a radiopharmaceutical composition intended for the diagnosis and/or treatment of melanoma.

  本发明涉及使用式（I）化合物：其中R1代表放射性核素，Ar代表芳香环，m为2到4的整数，R2和R3代表独立的氢原子，（C1-C6）烷基，（C1-C6）烯基或苯基，所述苯基选择自苯基，苄基，咪唑基，吡啶基，嘧啶基，吡嗪基，吲哚基，吲唑基，呋喃基和噻吩基，并且它们与药学上可接受的酸的加成盐，用于制备放射性药物组合物，用于诊断和/或治疗黑色素瘤。
• Labelled analogues of halobenzamides as radiopharmaceuticals
  申请人：INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM)

  公开号：EP2363399A1

  公开（公告）日：2011-09-07

  The present invention relates to the use of a compound of formula (I): in which R1 represents a radionuclide, Ar represents an aromatic nucleus, m is an integer varying from 2 to 4, R2 and R3 represent, independently of one another, a hydrogen atom, a (C1-C6)alkyl group, a (C1-C6)alkenyl group or an aryl group chosen from a phenyl, benzyl, imidazolyl, pyridyl, pyrimidinyl, pyrazinyl, indolyl, indazolyl, furyl and thienyl group, and their addition salts with pharmaceutically acceptable acids, in the preparation of a radiopharmaceutical composition intended for the diagnosis and/or treatment of melanoma.

  本发明涉及式（I）化合物的用途： 其中 R1 代表放射性核素 Ar 代表芳香核 m 是 2 至 4 之间的整数、 R2和R3相互独立地代表氢原子、(C1-C6)烷基、(C1-C6)烯基或选自苯基、苄基、咪唑基、吡啶基、嘧啶基、吡嗪基、吲哚基、吲唑基、呋喃基和噻吩基的芳基，以及它们与药学上可接受的酸的加成盐，用于制备诊断和/或治疗黑色素瘤的放射性药物组合物。
• Potential antitumor agents. Part 38. 3-Substituted 5-carboxamido derivatives of amsacrine
  作者：William A. Denny、Graham J. Atwell、Bruce C. Baguley

  DOI：10.1021/jm00365a013

  日期：1983.11

  The synthesis and biological evaluation of a series of 3-substituted 5-carboxamido derivatives of amsacrine (m-AMSA) are described. This series was developed as the result of previous quantitative structure-activity relationship (QSAR) studies of the antitumor activity of 9-anilinoacridine derivatives. In agreement with these studies, this class of compounds, possessing a variety of small nonpolar groups at the 3-position, together with very hydrophilic carboxamido groups at the 5-position, have high in vivo activity against animal leukemia models.
• [EN] LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS<br/>[FR] ANALOGUES MARQUÉS D'HALOBENZAMIDES UTILISÉS COMME PRODUITS RADIOPHARMACEUTIQUES
  申请人：INST NAT SANTE RECH MED

  公开号：WO2008012782A3

  公开（公告）日：2008-06-05
• STEWART, G. M.;REWCASTLE, G. W.;DENNY, W. A., AUSTRAL. J. CHEM., 1984, 37, N 9, 1939-1950
  作者：STEWART, G. M.、REWCASTLE, G. W.、DENNY, W. A.

  DOI：——

  日期：——