5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-hydroxynaphthalene-3-carboxylic acid | 191469-54-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-hydroxynaphthalene-3-carboxylic acid
• 英文别名: 5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-hydroxy-2-naphthoic acid；3-hydroxy-5,5,8,8-tetrahydro-5,5,8,8-tetramethylnaphtalen-2-carboxylic acid；5,6,7,8-tetrahydro-3-hydroxy-5,5,8,8-tetramethylnaphth-2-ylcarboxylic acid；3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
• CAS: 191469-54-2
• 化学式: C₁₅H₂₀O₃
• 分子量: 248.322
• InChiKey: BPWJFRMNQQXQHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-hydroxynaphthalene-3-carboxylic acid 在 sodium hydroxide 、 四丁基溴化铵 、 溴 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 反应 2.0h， 生成 1-bromo-2-methoxymethoxy-5,5,8,8-tetrahydro-5,5,8,8-tetramethylnaphtalen-3-l carboxylic acid
  参考文献：
  名称：

  视黄酸受体α亚型特异性激动剂的鉴定。

  摘要：

  DOI：

  10.1021/jm9603532
• 作为产物：
  描述：

  5,5,8,8-四甲基-5,6,7,8-四氢萘-2-醇 在 盐酸 、 四丁基溴化铵 、 溴 、 叔丁基锂 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-hydroxynaphthalene-3-carboxylic acid
  参考文献：
  名称：

  视黄酸受体α亚型特异性激动剂的鉴定。

  摘要：

  DOI：

  10.1021/jm9603532

文献信息

• 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。
• Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thichroman and 1,2,3,4-tetrahydroquinolinecarboxlic acids, having an electron withdrawing substituent in the aromatic or heteroaromatic moiety, having retinoid-like biological activity
  申请人：Allergan Sales, Inc.

  公开号：US06342602B1

  公开（公告）日：2002-01-29

  Compounds of the formula wherein the symbols have the meaning defined in the specification have retinoid-like biological activity.

  该式化合物具有类视黄醇生物活性，其中符号的含义在规范中定义。
• Methods of treatment with compounds having RAR.sub..alpha. receptor
  申请人：Allergan Sales, Inc.

  公开号：US05965606A1

  公开（公告）日：1999-10-12

  Retinoid compounds which act specifically or selectively on RAR.sub..alpha. receptor subtypes in preference over RAR.sub..beta. and RAR.sub..gamma. receptor subtypes, posses desirable pharmaceutical properties associated with retinoids, and are particularly suitable for treatment of tumors, such as acute monocytic leukemia, cervical carcinoma, myeloma, ovarian carcinomas and head and neck carcinomas, without having one or more undesirable side effects of retinoids, such as inducement of weight loss, mucocutaneous toxicity, skin irritation and teratogenecity.

  对RAR.sub..alpha.受体亚型具有特异性或选择性作用，优先于RAR.sub..beta.和RAR.sub..gamma.受体亚型的视黄醇类化合物具有与视黄醇相关的理想药理特性，并特别适用于治疗肿瘤，如急性单核细胞白血病、宫颈癌、骨髓瘤、卵巢癌和头颈癌，而不会产生视黄醇的一个或多个不良副作用，如诱导体重减轻、粘膜皮肤毒性、皮肤刺激和致畸性。
• Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thiochroman
  申请人：Allergan

  公开号：US05675024A1

  公开（公告）日：1997-10-07

  Compounds of the formula ##STR1## where the symbols have the meaning defined in the specification have retinoid-like biological activity.

  式子##STR1##中的符号具有规范中定义的含义，化合物具有类视黄醇生物活性。
• Methods of treatment with compounds having RAR alpha receptor specific or selective activity
  申请人：Allergan Sales, Inc.

  公开号：US20020077360A1

  公开（公告）日：2002-06-20

  Retinoid compounds which act specifically or selectively on RAR &agr; receptor subtypes in preference over RAR &bgr; and RAR &Ggr; receptor subtypes, posses desirable pharmaceutical properties associated with retinoids, and are particularly suitable for treatment of tumors, such as acute monocytic leukemia, cervical carcinoma, myeloma, ovarian carcinomas and head and neck carcinomas, without having one or more undesirable side effects of retinoids, such as inducement of weight loss, mucocutaneous toxicity, skin irritation and teratogenecity.

  作用于RARα亚型的视黄酸类化合物，具有优于RARβ和RARγ亚型的选择性或特异性，具有与视黄酸相关的理想药物特性，特别适用于治疗肿瘤，如急性单核细胞白血病、宫颈癌、骨髓瘤、卵巢癌和头颈癌，而不具有视黄酸的一个或多个不良副作用，如诱导体重减轻、粘膜皮肤毒性、皮肤刺激和致畸性。