5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthyl phenyl ketone | 1178511-49-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthyl phenyl ketone
• 英文别名: (3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-phenylmethanone
• CAS: 1178511-49-3
• 化学式: C₂₁H₂₄O₂
• 分子量: 308.42
• InChiKey: DPXVRKLEVRRTBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苯酚 在 aluminum (III) chloride 作用下， 以 二氯甲烷 、 苯酚 为溶剂， 反应 20.0h， 生成 5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethyl-2-naphthyl phenyl ketone
  参考文献：
  名称：

  THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA

  摘要：

  一种提供成人T细胞白血病的新型治疗药物的对象是具有ATL细胞特异性抗肿瘤作用。根据本发明的成人T细胞白血病治疗药物的特征在于含有由式I表示的化合物或其前药， 其中R 1 为H、OH、烷氧基、酰基或硫酰基，R 2 为酰基、硫酰基、CONR 7 R 8 或CSNR 7 R 8 （R 7 和R 8 各自独立地为H、含有1至3个碳原子的烷基或苯基），或R 1 和R 2 可共同形成环，X 1 和X 2 可以相同也可以不同，分别为—CR 3 R 4 —、—SiR 3 R 4 —或氧，R 3 和R 4 可以相同也可以不同，分别为含有1至6个碳原子的烷基。

  公开号：

  US20110172185A1

文献信息

• Therapeutic drug for adult T-cell leukemia
  申请人：Baba Masanori

  公开号：US08765719B2

  公开（公告）日：2014-07-01

  An object is to provide a novel therapeutic drug for adult T-cell leukemia having an ATL cell specific antitumor effect. The therapeutic drug for adult T-cell leukemia according to the invention is characterized by containing a compound represented by the formula I or a prodrug thereof, wherein R1 is H, OH, an alkoxy group, an acyl group, or a thioacyl group, R2 is an acyl group, a thioacyl group, CONR7R8, or CSNR7R8 (R7 and R8 being each independently H, an alkyl group containing 1 to 3 carbon atoms, or a phenyl group), or R1 and R2 together may form a ring, X1 and X2 may be the same or different and are each —CR3R4—, —SiR3R4— or oxygen, and R3 and R4 may be the same or different and are each an alkyl group containing 1 to 6 carbon atoms.

  本发明的目的是提供一种新型治疗成人T细胞白血病具有ATL细胞特异性抗肿瘤作用的药物。根据本发明的成人T细胞白血病治疗药物的特征在于含有由式I表示的化合物或其前药，其中R1为H，OH，烷氧基，酰基或硫酰基，R2为酰基，硫酰基，CONR7R8或CSNR7R8（R7和R8各自独立地为H，含有1至3个碳原子的烷基或苯基），或R1和R2一起可以形成环，X1和X2可以相同也可以不同，分别为—CR3R4—，—SiR3R4—或氧，R3和R4可以相同也可以不同，分别为含有1至6个碳原子的烷基。
• THERAPEUTIC AGENT FOR ADULT T-CELL LEUKEMIA
  申请人：Kagoshima University

  公开号：EP2345409A1

  公开（公告）日：2011-07-20

  An object is to provide a novel therapeutic drug for adult T-cell leukemia having an ATL cell specific antitumor effect. The therapeutic drug for adult T-cell leukemia according to the invention is characterized by containing a compound represented by the formula I or a prodrug thereof, wherein R1 is H, OH, an alkoxy group, an acyl group, or a thioacyl group, R2 is an acyl group, a thioacyl group, CONR7R8, or CSNR7R8 (R7 and R8 being each independently H, an alkyl group containing 1 to 3 carbon atoms, or a phenyl group), or R1 and R2 together may form a ring, X1 and X2 may be the same or different and are each -CR3R4 -SiR3R4- or oxygen, and R3 and R4 may be the same or different and are each an alkyl group containing 1 to 6 carbon atoms.

  目的是提供一种具有 ATL 细胞特异性抗肿瘤作用的成人 T 细胞白血病新型治疗药物。根据本发明的成人 T 细胞白血病治疗药物，其特征在于含有由式 I 代表的化合物或其原药、 其中 R1 是 H、OH、烷氧基、酰基或硫代酰基，R2 是酰基、硫代酰基、CONR7R8 或 CSNR7R8（R7 和 R8 各自独立地为 H、含有 1 至 3 个碳原子的烷基或苯基）、或 R1 和 R2 可共同形成一个环，X1 和 X2 可相同或不同，且各自为 -CR3R4 -SiR3R4- 或氧，R3 和 R4 可相同或不同，且各自为含 1 至 6 个碳原子的烷基。
• Discovery of tetrahydrotetramethylnaphthalene analogs as adult T-cell leukemia cell-selective proliferation inhibitors in a small chemical library constructed based on multi-template hypothesis
  作者：Masahiko Nakamura、Takayuki Hamasaki、Maiko Tokitou、Masanori Baba、Yuichi Hashimoto、Hiroshi Aoyama

  DOI：10.1016/j.bmc.2009.04.044

  日期：2009.7

  Adult T cell leukemia (ATL), caused by infection of human T-lymphotropic virus type 1 (HTLV-1), has a poor prognosis and curative therapy is unavailable, so it is important to find or design superior lead compounds for the drug treatment of ATL. We used our micro-reversed fragment-based drug design hypothesis and multi-template hypothesis to extract the tetrahydrotetramethylnaphthalene (TMN) skeleton from tamibarotene, a useful medicament for the treatment of acute promyelocytic leukemia (APL). Structural development of TMN yielded highly ATL cell-selective growth inhibitors, including 2-acetyl-3-hydroxy-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene (6). Structure-activity relationship analysis suggests the existence of a specific target molecule for ATL cell-selective inhibition of proliferation through G2 arrest. (C) 2009 Elsevier Ltd. All rights reserved.
• US8765719B2
  申请人：——

  公开号：US8765719B2

  公开（公告）日：2014-07-01
• THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA
  申请人：Baba Masanori

  公开号：US20110172185A1

  公开（公告）日：2011-07-14

  An object is to provide a novel therapeutic drug for adult T-cell leukemia having an ATL cell specific antitumor effect. The therapeutic drug for adult T-cell leukemia according to the invention is characterized by containing a compound represented by the formula I or a prodrug thereof, wherein R 1 is H, OH, an alkoxy group, an acyl group, or a thioacyl group, R 2 is an acyl group, a thioacyl group, CONR 7 R 8 , or CSNR 7 R 8 (R 7 and R 8 being each independently H, an alkyl group containing 1 to 3 carbon atoms, or a phenyl group), or R 1 and R 2 together may form a ring, X 1 and X 2 may be the same or different and are each —CR 3 R 4 —, —SiR 3 R 4 — or oxygen, and R 3 and R 4 may be the same or different and are each an alkyl group containing 1 to 6 carbon atoms.

  一种提供成人T细胞白血病的新型治疗药物的对象是具有ATL细胞特异性抗肿瘤作用。根据本发明的成人T细胞白血病治疗药物的特征在于含有由式I表示的化合物或其前药， 其中R 1 为H、OH、烷氧基、酰基或硫酰基，R 2 为酰基、硫酰基、CONR 7 R 8 或CSNR 7 R 8 （R 7 和R 8 各自独立地为H、含有1至3个碳原子的烷基或苯基），或R 1 和R 2 可共同形成环，X 1 和X 2 可以相同也可以不同，分别为—CR 3 R 4 —、—SiR 3 R 4 —或氧，R 3 和R 4 可以相同也可以不同，分别为含有1至6个碳原子的烷基。