1,1-dimethyl-6-acetyl-tetralin | 27413-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 1,1-dimethyl-6-acetyl-tetralin
• 英文别名: 2-acetyl-5,5-dimethyl-5,6,7,8-tetrahydronaphthalene；1-(5,5-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone；1-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanone
• CAS: 27413-66-7
• 化学式: C₁₄H₁₈O
• 分子量: 202.296
• InChiKey: TUOWBVGRZCYMGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4,4-二甲基-3,4-二氢-2H-萘-1-酮 在 palladium on activated charcoal 盐酸 、 三氯化铝 、 氢气 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 25.0 ℃ 、413.69 kPa 条件下， 反应 8.0h， 生成 1,1-dimethyl-6-acetyl-tetralin
  参考文献：
  名称：

  Protein tyrosine kinase inhibitory properties of planar polycyclics obtained from the marine sponge Xestospongia cf. carbonaria and from total synthesis

  摘要：

  Nine related polycyclic quinones and hydroquinones of the halenaquinone class were isolated from two Indo-Pacific collections of the sponge Xestospongia cf. carbonaria. The halenaquinone family appears not to be of polyketide origin but can be biogenetically derived by the union of a sesquiterpene and a quinone. Four new metabolites were characterized including tetrahydrohalenaquinone B (8a), 14-methoxyhalenaquinone (9), xestoquinolide A (10), and xestoquinolide B (11). These were accompanied by five known compounds, halenaquinone (3), halenaquinol (4), halenaquinol sulfate (5), xestoquinone (6), and tetrahydrohalenaquinone A (7a). The new structures were established from 2D NMR data, and the absolute stereochemistry of the chiral centers in 7 and 8 was determined by the formation of 7b and 7c, the bis esters of O-methylmandelic acid. A series of polycyclic models of natural products 3 and 6 were synthesized and included 16-23. The more complex members of this group were assembled via a 4 + 2 cycloaddition between an o-quinodimethane and a functionalized enone. The marine natural products plus two known fungal metabolites, viridin (13) and wortmannin (14), along with halenaquinone synthetic model compounds, were each tested for their ability to inhibit the activity of pp60v-src protein tyrosine kinase (PTK). Halenaquinone and 14-methoxyhalenaquinone were the most potent with IC50 values <10 muM. The other compounds were either less potent or inactive, and a rationalization for this SAR (structure activity relationship) pattern is presented.

  DOI：

  10.1021/jo00070a023

文献信息

• Disubstituted chalcone oximes as selective agonists of RAR retinoid receptors
  申请人：Tsang Yin Kwok

  公开号：US20050148590A1

  公开（公告）日：2005-07-07

  Compounds of the formula where the variables are as defined in the specification, are useful for preventing or treating emphysema and related pulmonary conditions of mammals and other diseases and conditions which are responsive to RAR γ agonist retinoids, such as skin related diseases, including but not limited to acne and psoriasis.

  式中变量的定义如规范中所述，对于预防或治疗哺乳动物的肺气肿和相关肺部疾病以及其他对RARγ激动剂类维生素A酸类药物敏感的疾病和病况是有用的，例如皮肤相关疾病，包括但不限于痤疮和牛皮癣。
• INHIBITORS OF SPHINGOSINE KINASE
  申请人：Stieber Frank

  公开号：US20120252815A1

  公开（公告）日：2012-10-04

  The present invention relates to compounds of the formula (I), in which R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , R 15 , R 16 , R 17 , M 1 , M 2 , M 3 , Y 1 , Y 2 , V, W, n, m and o have the gleanings given herein, and physiologically acceptable salts, derivatives, prodrugs, solvates, tautomers and stereoisomers thereof, including mixtures thereof in all ratios, for use in the treatment of diseases which are influenced by inhibition of Sph kinase 1.

  本发明涉及化合物的结构式(I)，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17、M1、M2、M3、Y1、Y2、V、W、n、m和o具有此处所述的含义，以及其生理上可接受的盐、衍生物、前药、溶剂化合物、互变异构体和立体异构体，包括所有比例的混合物，用于治疗受Sph激酶1抑制影响的疾病。
• THIAZOLYL PIPERIDINE DERIVATIVES
  申请人：Stieber Frank

  公开号：US20110105505A1

  公开（公告）日：2011-05-05

  Compounds of the formula (I), in which R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 9 , R 10 , R 11 , Q and W have the meanings indicated in Claim 1 , and precursors thereof are inhibitors of sphingosine kinase and can be employed, inter alia, for the treatment of tumours.

  式(I)的化合物中，其中R1、R2、R3、R4、R5、R6、R9、R10、R11、Q和W具有权利要求书中所示的含义，以及它们的前体是鞘氨醇激酶的抑制剂，可用于治疗肿瘤等用途。
• Tetralin esters of phenols or benzoic acids having retinoid like activity
  申请人：ALLERGAN, INC

  公开号：EP0337689A1

  公开（公告）日：1989-10-18

  Retinoid-like activity is exhibited by compounds of the for­mula where the R groups are independently hydrogen, or lower alkyl; A is -C(O)O-, -OC(O)-, -C(O)S-, or -SC(O)-; n is 0-5; and Z is H, -COB where B is -OH or a pharmaceutically acceptable salt, or B is -OR₁ where R₁ is an ester-forming group, or B is -N(R)₂ where R is hydrogen or lower alkyl, or Z is -OE where E is hydrogen or an ether-forming group or -COR₂ where R₂ is hydrogen, lower alkyl, phenyl or lower alkyl phenyl, or Z is -CHO or an acetal derivative thereof, or Z is -COR₃ where R₃ is -(CH₂)mCH₃ where m is 0-4 and the sum of n and m does not exceed 4.

  类视黄醇活性由以下式子的化合物表现出来 其中 R 基团独立地为氢或低级烷基；A 为 -C(O)O-、-OC(O)-、-C(O)S- 或 -SC(O)-；n 为 0-5；Z 是 H、-COB（其中 B 是-OH 或药学上可接受的盐）、或 B 是-OR₁（其中 R₁ 是酯形成基）、或 B 是-N(R)₂（其中 R 是氢或低级烷基）、或 Z 是-OE（其中 E 是氢或醚形成基）或-COR₂（其中 R₂ 是氢）、或 Z 为-CHO 或其缩醛衍生物，或 Z 为-COR₃，其中 R₂ 为-(CH₂)mCH₃，其中 m 为 0-4，且 n 与 m 之和不超过 4。
• DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS
  申请人：ALLERGAN, INC.

  公开号：EP1704139A1

  公开（公告）日：2006-09-27