2-(3-甲砜基苯基)乙胺盐酸盐 | 1073666-57-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(3-甲砜基苯基)乙胺盐酸盐
• 英文名称: 2-(3-methanesulfonylphenyl)ethan-1-amine hydrochloride
• 英文别名: 2-[3-(Methylsulfonyl)phenyl]ethylamine Hydrochloride；2-(3-methylsulfonylphenyl)ethanamine;hydrochloride
• CAS: 1073666-57-5
• 化学式: C₉H₁₃NO₂S*ClH
• 分子量: 235.735
• InChiKey: XHQYVBTUMQRDHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  68.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-甲砜基苯基)乙胺盐酸盐 、 二聚氰胺 以96.1 %的产率得到1-carbamimidamido-N-[2-(3-methanesulfonylphenyl)ethyl]methanimidamide hydrochloride
  参考文献：
  名称：

  Optimization of First-in-Class Dual-Acting FFAR1/FFAR4 Allosteric Modulators with Novel Mode of Action

  摘要：

  DOI：

  10.1021/acsmedchemlett.2c00160
• 作为产物：
  描述：

  3-甲砜基苯甲醇 在 Raney-Ni 氨 、 氢气 、 甲基磺酰氯 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 二甲基亚砜 为溶剂， 反应 20.42h， 生成 2-(3-甲砜基苯基)乙胺盐酸盐
  参考文献：
  名称：

  [EN] SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN
  [FR] INHIBITEURS DE SÉPIAPTÉRINE RÉDUCTASE POUR LE TRAITEMENT DE LA DOULEUR

  摘要：

  本文介绍的是对丝氨酸脱氢酶（SPR）的小分子杂环抑制剂，以及它们的前药和药用盐。还包括这些化合物的药物组合物以及这些化合物用于治疗或预防疼痛（如炎症性疼痛、伤害性疼痛、功能性疼痛和神经病理性疼痛）的用途。

  公开号：

  WO2011047156A1

文献信息

• [EN] SUBSTITUTED 1,6-NAPHTHYRIDINES<br/>[FR] 1,6-NAPHTYRIDINES SUBSTITUÉES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014079787A1

  公开（公告）日：2014-05-30

  The present invention relates to the use of compounds of general formula (I) wherein R' is hydrogen or lower alkyl; R1 is halogen, lower alkyl, cycloalkyl or cyano; or is phenyl, optionally substituted by one to three substituents, selected from lower alkyl, lower alkyl substituted by halogen, lower alkoxy, lower alkoxy substituted by halogen, halogen, cyano, hydroxy, C(O)-NH-lower alkyl, CH2-C(O)-NH-lower alkyl, CH2-NH-C(O)-lower alkyl, CH2NH2, S(O)2CH3, S(O)2N(CH3)2, or by heterocycloalkyl groups; or is pyrazol-1, 4 or 5-yl, optionally substituted by lower alkyl; or is thiazol-5-yl, optionally substituted by one or two lower alkyl groups; or is pyridine 2, 3 or 4-yl, optionally substituted by lower alkyl, lower alkoxy, halogen or N(CH3)2; or is 3,6-dihydro-2H-pyran; or is benzo[d][1,3]dioxol-5-yl; or is 2,3-dihydrobenzo[b][1,4]dioxin-6-yl; R2 is hydrogen, lower alkyl or lower alkyl substituted by alkoxy; R3 is hydrogen, lower alkyl, lower alkyl substituted by halogen, lower alkyl substituted by hydroxy, NH-S(O)2-CH3, -(CH2)m-O-lower alkyl or -(CH2)n-S(O)2-CH3; or is -(CR2)n-phenyl, optionally substituted by -S(O)2CH3 or lower alkoxy; or is -(CH2)n-heterocycloalkyl, optionally substituted by lower alkyl and =O; or is -(CH2)n-heteroaryl, optionally substituted by one or two lower alkyl groups; or is -(CH2)n-cycloalkyl, optionally substituted by cyano; or R2 and R3 form together with the N atom to which they are attached a heterocyclic ring, selected from morpholine, piperidine, 1, 1-dioxo-thiomorpholine or piperazine which may be substituted by lower alkyl or C(O)O-lower alkyl, or may form a pyrrolidine ring, optionally substituted by hydroxy; R is independently from n hydrogen or lower alkyl; n is 0, 1, 2, 3; m is 2; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture or to its corresponding enantiomer and/or optical isomers thereof, for the treatment of schizophrenia, obsessive-compulsive personality disorder, depression, bipolar disorders, anxiety disorders, normal aging, epilepsy, retinal degeneration, traumatic brain injury, spinal cord injury, post-traumatic stress disorder, panic disorder, Parkinson's disease, dementia, Alzheimer's disease, mild cognitive impairment, chemotherapy-induced cognitive dysfunction ("chemobrain"), Down syndrome, autism spectrum disorders, hearing loss, tinnitus, spinocerebellar ataxia, amyotrophic lateral sclerosis, multiple sclerosis, Huntington's disease, stroke, and disturbances due to radiation therapy, chronic stress, optic neuropathy or macular degeneration, or abuse of neuro-active drugs selected from alcohol, opiates, methamphetamine, phencyclidine or cocaine.

  本发明涉及使用一般式（I）的化合物，其中R'是氢或较低的烷基；R1是卤素、较低的烷基、环烷基或氰基；或者是苯基，可选择地被一个到三个取代基取代，所述取代基选自较低的烷基、被卤素取代的较低烷基、较低的烷氧基、被卤素取代的较低烷氧基、卤素、氰基、羟基、C(O)-NH-较低烷基、CH2-C(O)-NH-较低烷基、 -NH-C(O)-较低烷基、 NH2、S(O)2 、S(O)2N(CH3)2，或者是由杂环烷基组成的基团；或者是吡唑-1、4或5-基，可选择地被较低烷基取代；或者是噻唑-5-基，可选择地被一个或两个较低烷基基团取代；或者是吡啶-2、3或4-基，可选择地被较低烷基、较低烷氧基、卤素或N( )2取代；或者是3,6-二氢-2H-吡喃；或者是苯并[d][1,3]二噁嗪-5-基；或者是2,3-二氢苯并[b][1,4]二噁烷-6-基；R2是氢、较低烷基或被烷氧基取代的较低烷基；R3是氢、较低烷基、被卤素取代的较低烷基、被羟基取代的较低烷基、NH-S(O)2- 、-( )m-O-较低烷基或-( )n-S(O)2- ；或者是-(CR2)n-苯基，可选择地被-S(O)2 或较低烷氧基取代；或者是-( )n-杂环烷基，可选择地被较低烷基和=O取代；或者是-( )n-杂芳基，可选择地被一个或两个较低烷基基团取代；或者是-( )n-环烷基，可选择地被氰基取代；或者R2和R3与它们连接的N原子一起形成一个杂环环，所述杂环环选自吗啉、哌啶、1,1-二氧代-硫代吗啉或哌嗪，可被较低烷基或C(O)O-较低烷基取代，或者可形成一个吡咯烷环，可选择地被羟基取代；R独立于n是氢或较低烷基；n为0、1、2、3；m为2；或者是药学上可接受的酸盐，或者是外消旋混合物，或者是其对应的对映体和/或光学异构体，用于治疗精神分裂症、强迫性人格障碍、抑郁症、躁郁症、焦虑症、正常衰老、癫痫、视网膜退化、创伤性脑损伤、脊髓损伤、创伤后应激障碍、恐慌障碍、帕金森病、痴呆症、阿尔茨海默病、轻度认知障碍、化疗诱导的认知功能障碍（“化疗脑”）、唐氏综合征、自闭症谱系障碍、听力丧失、耳鸣、脊髓小脑共济失调、肌萎缩侧索硬化、多发性硬化症、亨廷顿病、中风，以及由放射治疗、慢性应激、视神经病变或黄斑变性引起的干扰，或者由酒精、阿片类药物、甲基苯丙胺、芬太尼或可卡因等神经活性药物的滥用引起的干扰。
• [EN] NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES<br/>[FR] DÉRIVÉS D'ISOQUINOLINE DE STIMULATION DE LA NEUROGENÈSE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014177596A1

  公开（公告）日：2014-11-06

  The present invention relates to the use of compounds of general formula (I), wherein R1 is phenyl or pyridinyl, which are optionally substituted by halogen, cyano or lower alkyl substituted by halogen, or is dihydro-pyran-4-yl; R2 is hydrogen or lower alkyl; R3 is -(CHR)n-phenyl, optionally substituted by lower alkoxy or S(O)2-lower alkyl, or is heterocycloalkyl, optionally substituted by =O and lower alkyl, or is -(CH2)n-five or six membered heteroaryl, optionally sunbstituted by lower alkyl, or is hydrogen, lower alkyl, lower alkyl substituted by halogen, lower alkyl substituted by hydroxy, -NR-S(O)2-lower alkyl, -(CH2)n-cycloalkyl or -(CH2)n-S(O)2-lower alkyl; or R2 and R3 form together with the N-atom to which they are attached a heterocycloalkyl ring, selected from the group consisting of 1,1-dioxo-thiomorpholinyl, morpholinyl, or pyrrolidinyl, optionally substituted by hydroxyl; R is hydrogen or lower alkyl; n is 0, 1 or 2; or to a pharmaceutically acceptable acid addition salt, to a racemic mixture or to its corresponding enantiomer and/or optical isomers thereof, for the treatment of schizophrenia, obsessive-compulsive personality disorder, depression, bipolar disorders, anxiety disorders, normal aging, epilepsy, retinal degeneration, traumatic brain injury, spinal cord injury, post-traumatic stress disorder, panic disorder, Parkinson's disease, dementia, Alzheimer's disease, mild cognitive impairment, chemotherapy-induced cognitive dysfunction ("chemobrain"), Down syndrome, autism spectrum disorders, hearing loss, tinnitus, spinocerebellar ataxia, amyotrophic lateral sclerosis, multiple sclerosis, Huntington's disease, stroke, and disturbances due to radiation therapy, chronic stress, optic neuropathy or macular degeneration, or abuse of neuro-active drugs, such as alcohol, opiates, methamphetamine, phencyclidine or cocaine.

  本发明涉及使用一般式（I）的化合物，其中R1为苯基或吡啶基，可选择地被卤素、氰基或被卤素取代的较低烷基取代，或为二氢吡喃-4-基；R2为氢或较低烷基；R3为-(CHR)n-苯基，可选择地被较低烷氧基或S（O）2-较低烷基取代，或为杂环烷基，可选择地被=O和较低烷基取代，或为-(CH2)n-五元或六元杂环芳基，可选择地被较低烷基取代，或为氢、较低烷基、被卤素取代的较低烷基、被羟基取代的较低烷基、-NR-S（O）2-较低烷基、-( )n-环烷基或-( )n-S（O）2-较低烷基；或R2和R3与它们连接的N原子共同形成一个杂环烷基环，选自由1,1-二氧化硫代噻吩基、吗啉基或吡咯啉基，可选择地被羟基取代；R为氢或较低烷基；n为0、1或2；或是药学上可接受的酸盐，或为外消旋混合物或其对映体和/或光学异构体，用于治疗精神分裂症、强迫性人格障碍、抑郁症、躁郁症、焦虑障碍、正常衰老、癫痫、视网膜退化、创伤性脑损伤、脊髓损伤、创伤后应激障碍、惊恐障碍、帕金森病、痴呆症、阿尔茨海默病、轻度认知障碍、化疗诱导的认知功能障碍（“化疗脑”）、唐氏综合征、自闭症谱系障碍、听力丧失、耳鸣、脊髓小脑共济失调、肌萎缩性侧索硬化、多发性硬化症、亨廷顿病、中风，以及由放射治疗、慢性应激、视神经病变或黄斑变性、或滥用神经活性药物（如酒精、阿片类药物、甲基苯丙胺、芬太尼或可卡因）引起的干扰。
• SUBSTITUTED 1,6-NAPHTHYRIDINES
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2922540A1

  公开（公告）日：2015-09-30
• NEUROGENESIS-STIMULATING ISOQUINOLINE DERIVATIVES
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2991635A1

  公开（公告）日：2016-03-09