4-(7,8,9,10-四氢-7,7,10,10-四甲基苯并[b]萘并[2,3-f][1,4]噻唑啉-12-基-苯甲酸 | 188844-52-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 中文名称: 4-(7,8,9,10-四氢-7,7,10,10-四甲基苯并[b]萘并[2,3-f][1,4]噻唑啉-12-基-苯甲酸
• 英文名称: HX630
• 英文别名: 4-[2,3-(2,5-dimethyl-2,5-hexano)dibenzo[b,f][1,4]-thiazepin-11-yl]benzoic acid；4-[2,3-(2,5-dimethyl-2,5-hexano)dibenzo[b,f][1,4]thiazepin-11-yl]benzoic acid；Benzoic acid, 4-(7,8,9,10-tetrahydro-7,7,10,10-tetramethylbenzo(b)naphtho(2,3-f)(1,4)thiazepin-12-yl)-；4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1,5]benzothiazepin-12-yl)benzoic acid
• CAS: 188844-52-2
• 化学式: C₂₈H₂₇NO₂S
• 分子量: 441.594
• InChiKey: PFGCWQPTOKPRRK-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMSO:22.08(最大浓度 mg/mL);50.0(最大浓度 mM)

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-thiol 在 吡啶 、 盐酸 、 氢氧化钾 、 sodium hydroxide 、 PPA 、 铁粉 作用下， 以 乙醇 、 二氯甲烷 、 二甲基亚砜 、 苯 为溶剂， 反应 28.75h， 生成 4-(7,8,9,10-四氢-7,7,10,10-四甲基苯并[b]萘并[2,3-f][1,4]噻唑啉-12-基-苯甲酸
  参考文献：
  名称：

  二氮杂戊基苯甲酸对类视色素作用的调节。激活RXR-RAR异二聚体的类维生素A增效剂。

  摘要：

  在人HL-60早幼粒细胞白血病细胞中，二氮杂pin基苯甲酸衍生物可以对天然或合成类维生素A的诱导分化活性表现出拮抗或协同作用，该活性很大程度上取决于二氮杂ring环上取代基的性质。因此，类视黄醇拮抗剂LE135（6），4-（13H-10,11,12,13-tetrahydro-10，10,13,13,15-五甲基二萘并[2,3-b] [1,2 -e] diazepin-7-yl）苯甲酸（LE540，17）的拮抗潜力比亲代LE135（6）高1个数量级。相反，4- [5H-2,3-（2,5-二甲基-2,5-己基）-5-甲基二苯并[b，e] [1,4]二氮杂-11-基]-苯甲酸（HX600 ，LEAF（6）的结构异构体，（7）增强了RAR激动剂（例如Am80）诱导的HL-60细胞分化（2）。噻嗪类化合物HX630（29）和氮杂类衍生物HX640（30）的协同作用进一步增强。两者都比HX600（7

  DOI：

  10.1021/jm9704309

文献信息

• Treatment of neurodegenerative diseases
  申请人：Acadia Pharmaceuticals Inc.

  公开号：EP2556827A1

  公开（公告）日：2013-02-13

  The present disclosure relates to compounds to be used in a low dose in treatment of neurodegenerative diseases or disorders. It also relates to methods for treatment of a neurodegenerative diseases or disorders.

  本公开涉及低剂量用于治疗神经退行性疾病或紊乱的化合物。它还涉及治疗神经退行性疾病或紊乱的方法。
• REXINOID COMPOUND HAVING ALKOXY GROUP
  申请人：Kakuta Hiroki

  公开号：US20100120742A1

  公开（公告）日：2010-05-13

  Disclosed is a compound represented by the general formula shown below, which can bind to a retinoid X receptor (RXR), which is one of nuclear receptors, and exhibit an agonistic or antagonistic action. [Wherein, R 1 is selected from the group consisting of an alkyl group, an alkenyl group, an alkynyl group and an aryl group. R 2 is selected from the group consisting of an alkoxy group, an alkyl group, an alkenyl group, an alkynyl group and an aryl group. W is NR 3 or CR 3 ; and R 3 is selected from a hydrogen, an alkyl group, an alkenyl group, an alkynyl group and an aryl group. X 1 and Y 1 are selected from CH or N. X 2 and Y 2 are selected from CH, CR 4 or N. R 4 is selected from an alkyl group, an alkenyl group, an alkynyl group, an alkoxy group, a halogen, a nitro group and an amino group. Z is selected from a carboxylic acid, a carboxylate ester or a hydroxamic acid, which is bound directly or via an alkyl group, an alkenyl group or an alkynyl group.]
• TREATMENT OF NEURODEGENERATIVE DISEASES
  申请人：Burstein Ethan S.

  公开号：US20140329903A1

  公开（公告）日：2014-11-06

  The present disclosure relates to compounds to be used in a low dose in treatment of neurodegenerative diseases or disorders. It also relates to methods for treatment of a neurodegenerative diseases or disorders.
• TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER
  申请人：ACADIA Pharmaceuticals Inc.

  公开号：US20160263189A1

  公开（公告）日：2016-09-15

  Provided herein are methods for treating a neurodegenerative disease or disorder, or stroke using a combination of one or more RXR agonist and/or one or more Nurr1 agonist and one or more trophic factor, or pharmaceutically acceptable salts thereof. Additionally, compositions comprising of one or more RXR agonist and/or one or more Nurr1 agonist and one or more trophic factor, or pharmaceutically acceptable salts thereof for treatment of a neurodegenerative disease or disorder, or stroke are provided.
• US8389538B2
  申请人：——

  公开号：US8389538B2

  公开（公告）日：2013-03-05