4-[2-(aminomethyl)-1,3-thiazol-4-yl]-2,6-(di-tert-butyl)phenol | 335242-75-6

• 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: 4-[2-(aminomethyl)-1,3-thiazol-4-yl]-2,6-(di-tert-butyl)phenol
• 英文别名: 4-(2-(Aminomethyl)-1,3-thiazol-4-yl)-2,6-di(tert-butyl)phenol；4-[2-(aminomethyl)-1,3-thiazol-4-yl]-2,6-ditert-butylphenol
• CAS: 335242-75-6
• 化学式: C₁₈H₂₆N₂OS
• 分子量: 318.483
• InChiKey: HAQOEWGSBVQDHB-UHFFFAOYSA-N

物化性质

• 沸点：
  415.0±45.0 °C(Predicted)
• 密度：
  1.101±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  87.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[2-(aminomethyl)-1,3-thiazol-4-yl]-2,6-(di-tert-butyl)phenol 以100的产率得到BN-82451 dihydrochloride
  参考文献：
  名称：

  Derivatives of heterocycles with 5 members, their preparation and their use as medicaments

  摘要：

  一种治疗温血动物帕金森病的方法，包括向需要治疗的温血动物施用化合物的有效量，该化合物的化学式如下：其中取代基如规范中定义。

  公开号：

  US20070179153A1
• 作为产物：
  描述：

  Benzyl{4-[3,5-di(tert-butyl)-4-hydroxyphenyl]-1,3-thiazol-2-yl}methylcarbamate 以88的产率得到4-[2-(aminomethyl)-1,3-thiazol-4-yl]-2,6-(di-tert-butyl)phenol
  参考文献：
  名称：

  Derivatives of heterocycles with 5 members, their preparation and their use as medicaments

  摘要：

  一种治疗温血动物帕金森病的方法，包括向需要治疗的温血动物施用化合物的有效量，该化合物的化学式如下：其中取代基如规范中定义。

  公开号：

  US20070179153A1

文献信息

• New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：——

  公开号：US20030078420A1

  公开（公告）日：2003-04-24

  The invention relates to new derivatives of 2-(iminomethyl)amino-phenyl which are NO synthase inhibitors and can trap reactive oxygen species. These compounds can notably be used for the treatment of stroke, of neurodegenerative diseases and of ischemic or hemorragic cardiac or cerebral infarctions. These compounds include: N-{4-[({[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl}amino)methyl]phenyl}thiophene-2-carboximidamide; N-{3-[({[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl}amino)methyl]phenyl}thiophene-2-carboximidamide; N-(4-{[{[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl}(methyl)amino]methyl}phenyl)thiophene-2-carboximidamide; N-[3-({[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl]amino}methyl) phenyl]thiophene-2-carboximidamide; N-(3-{[(3,5-di-tert-butyl-4-hydroxybenzyl)amino]methyl}phenyl) thiophene-2-carboximidamide; N-[3-({[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl]amino}methyl) phenyl]thiophene-2-carboximidamide; N-[3-({[3-(4-hydroxy-3,5-diisopropylphenyl)propyl]amino}methyl) phenyl]thiophene-2-carboximidamide; N-(3-{[(4-hydroxy-3,5-diisopropylbenzyl)amino]methyl}phenyl) thiophene-2-carboximidamide; N-[3-({[2-(4-hydroxy-3,5-diisopropylphenyl)ethyl]amino}methyl) phenyl]thiophene-2-carboximidamide; N-2-(3,5-di-tert-butyl-4-hydroxybenzoyl)-N-1-(4-{[imino(thien-2-yl)methyl]amino}phenyl)-L-leucinamide; and pharmaceutically acceptable salts thereof.

  这项发明涉及新的2-(亚甲基亚胺)氨基苯基衍生物，它们是一氧化氮合酶抑制剂，可以捕获活性氧物质。这些化合物可以显著用于中风、神经退行性疾病、缺血性或出血性心脏或脑梗死的治疗。 这些化合物包括： N-4-[(4-(3,5-二叔丁基-4-羟基苯基)-1,3-噻唑-2-基}甲基)氨基]苯基}噻吩-2-甲酰亚胺； N-3-[(4-(3,5-二叔丁基-4-羟基苯基)-1,3-噻唑-2-基}甲基)氨基]苯基}噻吩-2-甲酰亚胺； N-(4-[4-(3,5-二叔丁基-4-羟基苯基)-1,3-噻唑-2-基}甲基(甲基)氨基]甲基}苯基)噻吩-2-甲酰亚胺； N-[3-([3-(3,5-二叔丁基-4-羟基苯基)丙基]氨基}甲基)苯基]噻吩-2-甲酰亚胺； N-(3-[(3,5-二叔丁基-4-羟基苯基)甲基]氨基}苯基)噻吩-2-甲酰亚胺； N-[3-([2-(3,5-二叔丁基-4-羟基苯基)乙基]氨基}甲基)苯基]噻吩-2-甲酰亚胺； N-[3-([3-(4-羟基-3,5-二异丙基苯基)丙基]氨基}甲基)苯基]噻吩-2-甲酰亚胺； N-(3-[(4-羟基-3,5-二异丙基苯基)甲基]氨基}苯基)噻吩-2-甲酰亚胺； N-[3-([2-(4-羟基-3,5-二异丙基苯基)乙基]氨基}甲基)苯基]噻吩-2-甲酰亚胺； N-2-(3,5-二叔丁基-4-羟基苯甲酰)-N-1-4-[imino(噻唑-2-基)甲基]氨基}苯基-L-亮氨酰； 及其药学上可接受的盐。
• Derivatives of heterocycles with 5 members, their preparation and their use as medicaments
  申请人：——

  公开号：US20040132788A1

  公开（公告）日：2004-07-08

  The invention relates to thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives of general formula (I) 1 wherein Het is thiazole, oxazole, imidazole, isoxazole or isoxazoline, n is an integer from 0 to 6, A is notably selected from various optionally substituted aromatic radicals, B is notably hydrogen, alkyl or phenyl, R 1 and R 2 are notably independently hydrogen, alkyl or cycloalkyl and &OHgr; is —NR 46 R 47 or —OR 48 R 46 and R 47 are notably independently hydrogen, alkyl, cycloalkyl or —(CH 2 ) k —COOR 51 , R 51 is notably alkyl or haloalkyl and R 48 is notably hydrogen or alkyl. These compounds have advantageous pharmacological properties which allow their use in therapeutics, notably for treating neurodegenerative disorders or pain.

  本发明涉及噻唑、噁唑、咪唑、异噁唑和异噁唑啉的一般式(I)衍生物，其中Het为噻唑、噁唑、咪唑、异噁唑或异噁唑啉，n为0至6的整数，A特别选自各种可任选取代的芳香族基团，B特别为氢、烷基或苯基，R1和R2特别独立地为氢、烷基或环烷基，Ω为—NR46R47或—OR48，R46和R47特别独立地为氢、烷基、环烷基或—(CH2)k—COOR51，R51特别为烷基或卤代烷基，R48特别为氢或烷基。这些化合物具有有利的药理学特性，使其可用于治疗学，特别是用于治疗神经退行性疾病或疼痛。
• [EN] COMPOSITIONS AND METHODS OF USING (R)-PRAMIPEXOLE<br/>[FR] COMPOSITIONS ET PROCÉDÉS EMPLOYANT DU (R)-PRAMIPEXOLE
  申请人：KNOPP NEUROSCIENCES INC

  公开号：WO2010022140A1

  公开（公告）日：2010-02-25

  Pharmaceutical compositions of (R)-pramipexole and one or more secondary therapeutic agents such as, for example, dopamine agonists, dopaminergic agonists, COMT inhibitors, MOA inhibitors, excitatory amino acid antagonists, growth factors, neurotrophic factors, antioxidants, anti-inflammatory agents, immunomodulators, anti-glutamatergics, ion channel blockers, α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor antagonists, heat shock protein inducers/ protein disaggregators and downregulators, monoamine oxidase type B (MOAB) inhibitors, multi-target agents, kinase inhibitors, Bcl inducers, histone deacetylase (HDAC) mediators, glial modulators, mitochondrial energy promoting agents, myostatin inhibitors, caspase inhibitors and combinations thereof or those related to mitochondrial dysfunction or increased oxidative stress are disclosed.

  (R)-普拉米普索尔及一种或多种次级治疗剂的药物组合，例如多巴胺激动剂、多巴胺能激动剂、COMT抑制剂、MOA抑制剂、兴奋性氨基酸拮抗剂、生长因子、神经营养因子、抗氧化剂、抗炎药、免疫调节剂、抗谷氨酸能药物、离子通道阻断剂、α-氨基-3-羟基-5-甲基-4-异恶唑丙酸（AMPA）受体拮抗剂、热休克蛋白诱导剂/蛋白质解聚剂和下调剂、单胺氧化酶B型（MOAB）抑制剂、多靶点药物、激酶抑制剂、Bcl诱导剂、组蛋白去乙酰化酶（HDAC）介质、胶质调节剂、线粒体能量促进剂、肌肉抑制素抑制剂、半胱氨酸蛋白酶抑制剂及其组合物，或与线粒体功能障碍或氧化应激增加有关的药物。
• Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：Chabrier de Lassauniere Etienne Pierre

  公开号：US20050043397A1

  公开（公告）日：2005-02-24

  A method of treating pain in a warm-blooded animal comprising administering to a warm-blooded animal in need thereof an amount of a compound of the formula wherein the substituents are defined in accordance with the disclosure.

  一种治疗温血动物疼痛的方法，包括向需要治疗的温血动物中投与一定量的化合物，该化合物的式如下：其中取代基根据公开说明定义。
• 4-PHENYLTHIAZOLE AND 4-PHENYLIMIDIZOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY
  申请人：CHABRIER de LASSAUNIERE Pierre-Etienne

  公开号：US20080108683A1

  公开（公告）日：2008-05-08

  The invention relates to novel derivatives of 4-phenylthiazoles and 4-phenylimidizoles and the use thereof as medicaments. The invention especially relates to the following compounds: butyl-2-[4-(4-aminophenyl)-1H-imidizol-2-yl]ethyl-carbamate, and 4-[2-(1-aminocyclopentyl)-1,3-thiazol-4-yl]-2,6-di-tert-butylphenol, and the salts of the same.

  本发明涉及4-苯基噻唑和4-苯基咪唑的新衍生物及其作为药物的用途。本发明特别涉及以下化合物：丁基-2-[4-(4-氨基苯基)-1H-咪唑-2-基]乙基-氨基甲酸酯，以及4-[2-(1-氨基环戊基)-1,3-噻唑-4-基]-2,6-二叔丁基苯酚及其盐。