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3-氨基-2-(4-氯苯基-丙烷磺酸 | 125464-42-8

中文名称
3-氨基-2-(4-氯苯基-丙烷磺酸
中文别名
β-(氨基甲基)-4氯代苯乙烷磺酸;Beta-(氨基甲基)-4氯代苯乙烷磺酸;Β-(氨甲基)-4氯代苯乙烷磺酸;β-(氨基甲基)-4 氯代苯乙烷磺酸
英文名称
(+)-Saclofen
英文别名
Saclofen;3-amino-2-(4-chlorophenyl)propane-1-sulfonic acid
3-氨基-2-(4-氯苯基-丙烷磺酸化学式
CAS
125464-42-8
化学式
C9H12ClNO3S
mdl
——
分子量
249.718
InChiKey
JYLNVJYYQQXNEK-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    310-315℃ (decomposition)
  • 密度:
    1.437±0.06 g/cm3(Predicted)
  • 溶解度:
    0.1 M NaOH:20 mg/mL
  • 稳定性/保质期:
    如果按照规格使用和储存,不会发生分解,也未有已知危险反应。

计算性质

  • 辛醇/水分配系数(LogP):
    -1.7
  • 重原子数:
    15
  • 可旋转键数:
    4
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.33
  • 拓扑面积:
    88.8
  • 氢给体数:
    2
  • 氢受体数:
    4

安全信息

  • WGK Germany:
    3
  • 海关编码:
    2921499090
  • 危险性防范说明:
    P261,P305+P351+P338
  • 危险性描述:
    H302,H315,H319,H335

反应信息

点击查看最新优质反应信息

文献信息

  • Novel 1-Heteroaryl-3-Azabicyclo[3.1.0]Hexanes Methods For Their Preparation And Their Use As Medicaments
    申请人:NEUROVANCE, Inc.
    公开号:US20140303207A1
    公开(公告)日:2014-10-09
    The invention provides novel 1-heteroaryl-3-azabicyclo[3.1.0]hexanes, and related processes and intermediates for preparing these compounds, as well as compositions and methods employing these compounds for the treatment and/or prevention of central nervous system (CNS) disorders, including but not limited to depression and anxiety.
    本发明提供了新型的1-杂芳基-3-氮杂双环[3.1.0]己烷化合物,以及用于制备这些化合物的相关过程和中间体,还包括使用这些化合物的组合物和方法,用于治疗和/或预防中枢神经系统(CNS)疾病,包括但不限于抑郁症和焦虑症。
  • [EN] PHARMACOLOGICALLY ACTIVE ARYL-SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRAZOLO[1,5-A]PYRIMIDINE À SUBSTITUTION ARYLE PHARMACOLOGIQUEMENT ACTIFS
    申请人:RICHTER GEDEON NYRT
    公开号:WO2018167629A1
    公开(公告)日:2018-09-20
    The present invention relates to new pyrazolo[1,5-a]pyrimidine derivatives of formula (I) or pharmaceutically acceptable salts, biologically active metabolites, pro-drugs, racemates, enantiomers, diastereomers, solvates and hydrates thereof that serve as GABAB receptor positive allosteric modulators. The invention also relates to the process for producing such compounds. The invention further relates to pharmaceutical compositions comprising such compounds optionally in combination with two or more different therapeutic agents and the use of such compounds in methods for treating diseases and conditions mediated and modulated by the GABAB receptor positive allosteric mechanism. The invention also provides a method for manufacture of medicaments useful in the treatment of such disorders.
    本发明涉及通式(I)的新型吡唑并[1,5-a]嘧啶衍生物或其药学上可接受的盐、生物活性代谢物、前药、消旋体、对映体、非对映体、溶剂合物和水合物,它们作为GABAB受体的正变构调节剂。本发明还涉及制备此类化合物的方法。本发明进一步涉及包含此类化合物的药物组合物,可选择性地与两种或更多种不同的治疗剂组合,以及此类化合物在治疗由GABAB受体正变构机制介导和调节的疾病和病症的方法中的用途。本发明还提供了一种用于制造治疗此类疾病的药物的方法。
  • [EN] NEUROLOGICALLY-ACTIVE COMPOUNDS<br/>[FR] COMPOSES PRESENTANT UNE ACTIVITE NEUROLOGIQUE
    申请人:UNIV SYDNEY
    公开号:WO2006000043A1
    公开(公告)日:2006-01-05
    The invention provides a compound of the formula (I): wherein R is methyl, ethyl, propyl, isopropyl, butyl, pentyl, neo-pentyl or cyclohexyl, or a salt or solvate thereof. These compounds are selective GABAC receptor antagonists. The invention also provides pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt or solvate thereof. The invention also provides methods of enhancing the cognitive activity of an animal and methods of stimulating memory capacity in an animal, comprising the step of administering to the animal an effective amount of a compound of formula (I) or a pharmaceutically acceptable salt or solvate thereof.
    本发明提供了一种公式(I)的化合物:其中R是甲基、乙基、丙基、异丙基、丁基、戊基、新戊基或环己基,或者是其盐或溶剂化物。这些化合物是选择性的GABAC受体拮抗剂。本发明还提供了包含公式(I)化合物或其药用可接受的盐或溶剂化物的药物组合物。本发明还提供了增强动物认知活动的方法和刺激动物记忆容量的方法,包括向动物投给有效量的公式(I)化合物或其药用可接受的盐或溶剂化物。
  • [EN] LIPOPEPTIDE COMPOUNDS FOR THE TREATMENT OF PAIN DISORDERS<br/>[FR] COMPOSÉS LIPOPEPTIDES DESTINÉS AU TRAITEMENT DE TROUBLES DE LA DOULEUR
    申请人:INST NAT SANTE RECH MED
    公开号:WO2018197666A1
    公开(公告)日:2018-11-01
    The invention is based on the discovery of a new bacterial compound with analgesic properties which could be used as a new tool for the treatment of pain disorders such as visceral pain. Studying the mechanisms implicated in analgesic properties of the probiotic Escherichia coli strain Nissle 1917 (EcN), inventors characterized, the amino fatty acids produced by EcN, which display the Ecn analgesic properties. One of these compounds inhibits the hypersensitivity to colorectal distension induced by capsaicin, which is a very powerful nociceptive compound and acts via the GABA B receptor. Furthermore, inventors demonstrate that this compound is able to cross the cellular epithelial barrier (such as the intestinal epithelium). Thus, the invention relates to a lipopetide compound, derived from gamma-aminobutyric acid. The invention also relates to a lipopeptide compound according to the invention for the treatment of treating pain disorder, such as somatic pain and visceral pain.
    这项发明基于发现一种具有镇痛特性的新细菌化合物,可用作治疗内脏疼痛等疼痛疾病的新工具。研究参与益生菌大肠杆菌菌株Nissle 1917(EcN)镇痛特性的机制,发明者表征了EcN产生的氨基脂肪酸,这些氨基脂肪酸显示出EcN的镇痛特性。其中一种化合物抑制了辣椒素诱导的结肠膨胀过敏,辣椒素是一种非常强力的伤害性化合物,通过GABA B受体发挥作用。此外,发明者证明了这种化合物能够穿过细胞上皮屏障(如肠上皮)。因此,该发明涉及一种源自γ-氨基丁酸的脂肽化合物。该发明还涉及根据该发明用于治疗疼痛障碍,如体表疼痛和内脏疼痛的脂肽化合物。
  • USE OF AMITIFADINE, (+)-1-(3,4-DICHLOROPHENYL)-3-AZABICYCLO[3.1.0]HEXANE IN METHODS AND COMPOSITIONS WITH ENHANCED EFFICACY AND REDUCED METABOLIC SIDE EFFECTS AND TOXICITY FOR TREATMENT OF DEPRESSION AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS AFFECTED BY MONOAMINE NEUROTRANSMITTERS
    申请人:McKinney Anthony Alexander
    公开号:US20160346249A1
    公开(公告)日:2016-12-01
    The present invention relates to (+)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane and pharmaceutically acceptable active salts, polymorphs, glycosylated derivatives, metabolites, solvates, hydrates, and/or prodrugs of (+)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane and their use alone or in combination with additional psychotherapeutic compositions in the treatment of conditions affected by monoamine neurotransmitters, including treatment of refractory individuals. (+)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane compositions are metabolized by either or both MAO-A or cytochrome P450 enzymes and thus are effective in the treatment of individuals with cytochrome P450 polymorphisms or who are taking other medications that affect the cytochrome P450 pathway.
    本发明涉及(+)-1-(3,4-二氯苯基)-3-氮杂双环[3.1.0]己烷及其药用可接受的活性盐、多晶形态、糖基化衍生物、代谢物、溶剂合物、水合物和/或前药,以及其单独使用或与额外的精神疗法组合一起治疗受单胺神经递质影响的疾病,包括难治性个体的治疗。 (+)-1-(3,4-二氯苯基)-3-氮杂双环[3.1.0]己烷组合物被MAO-A或细胞色素P450酶中的任一或两者代谢,因此对患有细胞色素P450多态性或正在服用影响细胞色素P450途径的其他药物的个体进行治疗是有效的。
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