6-bromo-2,2-dimethylthiochroman-4-one | 204449-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫铬烷
• 英文名称: 6-bromo-2,2-dimethylthiochroman-4-one
• 英文别名: 2,2-dimethyl-6-bromo-thiochroman-4-one；6-bromo-2,2-dimethyl-thiochroman-4-one；6-bromo-2,2-dimethyl-3H-thiochromen-4-one
• CAS: 204449-18-3
• 化学式: C₁₁H₁₁BrOS
• 分子量: 271.178
• InChiKey: KVPMXEMODNMSMM-UHFFFAOYSA-N

物化性质

• 沸点：
  353.2±42.0 °C(Predicted)
• 密度：
  1.451±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-bromo-2,2-dimethylthiochroman-4-one 在 叔丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2,2-Dimethyl-4-p-tolyl-2H-thiochromene-6-carbaldehyde
  参考文献：
  名称：

  A new class of potent rar antagonists: Dihydroanthracenyl, benzochromenyl and benzothiochromenyl retinoids

  摘要：

  The synthesis and biological activity of a novel series of tricyclic retinoic acid receptor antagonists are described. These compounds bind with high affinity to the RARs and are potent antagonists of retinoid function in in vitro and in vivo systems. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00077-3
• 作为产物：
  描述：

  3,3-二甲基丙烯酸 在 哌啶 、 草酰氯 、 四氯化锡 作用下， 以 二氯甲烷 、 苯 为溶剂， 生成 6-bromo-2,2-dimethylthiochroman-4-one
  参考文献：
  名称：

  A new class of potent rar antagonists: Dihydroanthracenyl, benzochromenyl and benzothiochromenyl retinoids

  摘要：

  The synthesis and biological activity of a novel series of tricyclic retinoic acid receptor antagonists are described. These compounds bind with high affinity to the RARs and are potent antagonists of retinoid function in in vitro and in vivo systems. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00077-3

文献信息

• Amines substituted with a dihydronaphthalenyl, chromenyl, or thiochromenyl group, an aryl or heteroaryl group and an alkyl group, having retinoid-like biological activity
  申请人：——

  公开号：US20030166932A1

  公开（公告）日：2003-09-04

  Compounds of the formula 1 where the symbols are as defined in the specification, have retinoid agonist, antagonist or negative hormone-like biological activity.

  式中符号如规范中定义，具有视黄醇激动剂、拮抗剂或负激素样生物活性。
• 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。
• 5-[phenyl-tetrahydronaphthalene-2-yl dihydronaphthalen-2-yl and heteroaryl-cyclopropyl]-pentadienoic acid derivatives having serum glucose reducing activity
  申请人：Sinha Santosh

  公开号：US20050004213A1

  公开（公告）日：2005-01-06

  Compounds of the formula where the variables have the meaning defined in the specification are capable of reducing serum glucose levels in diabetic mammals without the undesirable side effects of reducing serum thyroxine levels and transiently increasing triglyceride levels.

  式中变量的含义如规范中定义的那样，这些化合物能够降低糖尿病哺乳动物的血清葡萄糖水平，而不会出现降低血清甲状腺素水平和短暂增加甘油三酯水平的不良副作用。
• Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity
  申请人：——

  公开号：US20030130515A1

  公开（公告）日：2003-07-10

  Compounds of the formula 1 where the symbols have the meaning defined in the specification, have retinoid, retinoid antagonist and/or retinoid inverse-agonist-like biological activity.

  具有以下式子1的化合物，在规范中定义的符号具有相应的含义，具有类视黄醇、类视黄醇拮抗剂和/或类视黄醇反向激动剂样生物活性。
• Benzo\x9b1,2-g!-chrom-3-ene and benzo\x9b1,2-g!-thiochrom-3-ene derivatives
  申请人：Allergan

  公开号：US05728846A1

  公开（公告）日：1998-03-17

  Compounds of the formula ##STR1## where the symbols have the meaning defined in the specification, have retinoid, retinoid antagonist and/or retinoid inverse-agonist-like biological activity.

  式子##STR1##中符号的含义已在说明中定义，具有类视黄醇、类视黄醇拮抗剂和/或类视黄醇反向激动剂的生物活性。