盐酸肾上腺素-D3 | 97-31-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 盐酸肾上腺素-D3
• 中文别名: DL-异丙肾上腺素；二环[2.2.1]庚烷-2-甲酰胺,3-氨基-,(1R,2S,3R,4S)-rel-(9CI)
• 英文名称: Normetanephrine
• 英文别名: 4-(2-amino-1-hydroxyethyl)-2-methoxyphenol
• CAS: 97-31-4
• 化学式: C₉H₁₃NO₃
• 分子量: 183.2
• InChiKey: YNYAYWLBAHXHLL-UHFFFAOYSA-N

物化性质

• 熔点：
  HCl salt: 206-207, decomposition
• 沸点：
  393.8±42.0 °C(Predicted)
• 密度：
  1.249±0.06 g/cm3(Predicted)
• 溶解度：
  Water (easy), ethanol (soluble)
• 物理描述：
  Solid
• 碰撞截面：
  155 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  13
• 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：
  75.7
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2922509090

反应信息

• 作为反应物：
  描述：

  盐酸肾上腺素-D3 、 trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)acetimidate 生成 2-(3-methoxy-4-trimethylsilyloxyphenyl)-2-trimethylsilyloxyethanamine
  参考文献：
  名称：

  BROOKS, CHARLES J. W.;COLE, W. JOHN;BRINDLE, PHILIP A., J. CHROMATOGR., 468,(1989) C. 201-213

  摘要：

  DOI：

文献信息

• [EN] MODULATORS OF DOPAMINE NEUROTRANSMISSION<br/>[FR] MODULATEURS DE LA NEUROTRANSMISSION DE LA DOPAMINE
  申请人：NSAB AF NEUROSEARCH SWEDEN AB

  公开号：WO2009133109A1

  公开（公告）日：2009-11-05

  The present invention relates to novel 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-methanamine derivatives, useful as modulators of dopamine neurotransmission, and more specifically as dopaminergic stabilizers. In other aspects the invention relates to the use of these compounds in a method for therapy and to pharmaceutical compositions comprising the compounds of the invention.

  这项发明涉及新颖的1-(2,3-二氢-1,4-苯并二氧杂环戊烷-2-基)-甲胺衍生物，用作多巴胺神经传导调节剂，更具体地用作多巴胺稳定剂。在其他方面，该发明涉及将这些化合物用于治疗方法以及包括该发明化合物的药物组合物。
• Pharmaceutically active pyrrolidine derivatives as bax inhibitors
  申请人：——

  公开号：US20030171309A1

  公开（公告）日：2003-09-11

  The present invention is related to new substituted pyrrolidine derivatives of formula (I). Said compounds are preferably for use as pharmaceutically active compounds. Specifically, pyrrolidine derivatives of formula (I) are useful in the treatment and/or prevention of neurodegenerative disorders, diseases associated with polygultamine tracts, epilepsy, ischemia, infertility, cardiovascular disorders renal hypoxia, hepatitis and AIDS. Said pyrrolidine derivatives display a modulatory and most notably a down-regulating-up to an inhibitory-activity with respect to the cellular death agonist Bax and/or the activation pathways leading to Bax and allows therefore to block the release of cytochrome (c). The present invention is furthermore related to novel pharmaceutically activity substituted pyrrolidine derivatives as well as to methods of their preparation, wherein X is selected from the group consisting of O, S, CR<6>R<7>, NOR<6>, NNR<6>R<7>; A is selected from the group consisting of —(C═O)—, —(C═O)—O—, —C(═NH)—, —(C═O)—NH—, —(C═S)—NH, —SO2-, —SO2NH—; —CH2-; B is either a group —(C═O)—NR<8>R<9> or represents a heterocyclic residue having the formula (II) wherein Q is NR<10>, O or S; n is an integer selected of 0, 1 or 2; Y, Z and E form together with the 2 carbons to which they are attached a 5-6 membered aryl or heteroaryl ring.

  本发明涉及新的取代吡咯烷衍生物的化学式(I)。所述化合物通常用作药用活性化合物。具体来说，化学式(I)的吡咯烷衍生物在治疗和/或预防神经退行性疾病、与多谷氨酸氨基酸序列相关的疾病、癫痫、缺血、不孕症、心血管疾病、肾脏缺氧、肝炎和艾滋病方面具有用处。所述吡咯烷衍生物显示出对细胞死亡促进子Bax和/或导致Bax激活途径的调节作用，最显著地是下调至抑制活性，并因此允许阻止细胞色素(c)的释放。本发明还涉及新的具有药用活性的取代吡咯烷衍生物，以及它们的制备方法，其中X选自O、S、CR<6>R<7>、NOR<6>、NNR<6>R<7>组成的群；A选自—(C═O)—、—(C═O)—O—、—C(═NH)—、—(C═O)—NH—、—(C═S)—NH、—SO2-、—SO2NH—；—CH2-；B是一个群—(C═O)—NR<8>R<9>或代表具有化学式(II)的杂环残基，其中Q是NR<10>、O或S；n是选自0、1或2的整数；Y、Z和E与它们连接的两个碳共同形成一个5-6成员芳香族或杂芳族环。
• Pharmaceutically active pyrrolidine derivatives
  申请人：——

  公开号：US20030212012A1

  公开（公告）日：2003-11-13

  The present invention is related to pyrrolidine derivatives of formula (I). Said 1 compounds are preferably for use as pharmaceutically active compounds. Specifically, pyrrolidine derivatives of formula (I) are useful in the treatment and/or prevention of premature labor, premature birth and dysmenorrhea. In particular, the present invention is related to pyrrolidine derivatives displaying a substantial modulatory, notably an antagonist activity of the oxytocin receptor. More preferably, said compounds are useful in the treatment and/or prevention of disease states mediated by oxytocin, including premature labor, premature birth and dysmenorrhea. The present invention is furthermore related to novel pyrrolidine derivatives as well as to methods of their preparation, wherein X is selected from the group consisting of CR6R7, NOR6, NNR6R7; A is selected from the group consisting of —(C═O)—, —(C═O)—O—, —C(═NH)—, —(C═O)—NH—, —(C═S)—NH, —SO22—, —SO2NH—, —CH2—,B is either a group —(C═O)—NR8R9 or represents a heterocyclic residue having the formula (a) wherein Q is NR10, O or S; n is an integer selected of 0, 1 or 2; Y, Z and E form together with the 2 carbons to which they are attached a 5-6 membered aryl or heteroaryl ring.

  本发明涉及式(I)的吡咯烷衍生物。所述化合物优选用作药用活性化合物。具体而言，式(I)的吡咯烷衍生物在治疗和/或预防早产、早产和痛经方面是有用的。特别是，本发明涉及显示出氧催产素受体显著调节作用，特别是拮抗剂活性的吡咯烷衍生物。更具体地，所述化合物在治疗和/或预防由氧催产素介导的疾病状态，包括早产、早产和痛经方面是有用的。本发明还涉及新型吡咯烷衍生物以及其制备方法，其中X从CR6R7、NOR6、NNR6R7组中选择；A从—(C═O)—、—(C═O)—O—、—C(═NH)—、—(C═O)—NH—、—(C═S)—NH、—SO22—、—SO2NH—、—CH2—中选择；B是一个群—(C═O)—NR8R9或表示具有式(a)的杂环残基，其中Q是NR10、O或S；n是选择的整数0、1或2；Y、Z和E与它们连接的2个碳一起形成一个5-6成员芳基或杂芳基环。
• [EN] NOVEL 1 -ALKYL- 3 -HYDROXY- 3 -PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION<br/>[FR] NOUVEAUX DÉRIVÉS DE 1-ALKYL-3-HYDROXY-3-PHÉNYLAZÉTIDINE UTILES EN TANT QUE MODULATEURS DE LA NEUROTRANSMISSION CATÉCHOLAMINERGIQUE CORTICALE
  申请人：NSAB AF NEUROSEARCH SWEDEN AB

  公开号：WO2010058020A1

  公开（公告）日：2010-05-27

  The present invention relates to novel 3-phenyl-azetidine derivatives, useful for modulating dopamine neurotransmission and extracellular levels of catecholamines, dopamine and norepinephrine, in cerebral cortical areas of the mammalian brain, and more specifically for the treatment of central nervous system disorders. In other aspects the invention relates to pharmaceutical compositions comprising the 3-phenyl-azetidine derivatives of the invention and to the use of these compounds for therapeutic applications. X is OH; R1 is F or Cl; R2 is H, F or Cl; and R3 is n-Pr, i-Pr, n-Bu, i-Bu, s-Bu or t-Bu.

  本发明涉及新型3-苯基-氮杂环丙烷衍生物，用于调节哺乳动物大脑的大脑皮层区域中多巴胺神经传导和儿茶酚胺、多巴胺和去甲肾上腺素的细胞外水平，更具体地用于治疗中枢神经系统疾病。在其他方面，本发明涉及包含本发明的3-苯基-氮杂环丙烷衍生物的药物组合物以及利用这些化合物进行治疗应用。X为OH；R1为F或Cl；R2为H、F或Cl；R3为n-Pr、i-Pr、n-Bu、i-Bu、s-Bu或t-Bu。
• NOVEL 1-ALKYL-3-HYDROXY-3-PHENYLAZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION
  申请人：Sonesson Clas

  公开号：US20110257148A1

  公开（公告）日：2011-10-20

  The present invention relates to novel 3-phenyl-azetidine derivatives, useful for modulating dopamine neurotransmission and extracellular levels of catecholamines, dopamine and norepinephrine, in cerebral cortical areas of the mammalian brain, and more specifically for the treatment of central nervous system disorders. In other aspects the invention relates to pharmaceutical compositions comprising the 3-phenyl-azetidine derivatives of the invention and to the use of these compounds for therapeutic applications. X is OH; R 1 is F or Cl; R 2 is H, F or Cl; and R 3 is n-Pr, i-Pr, n-Bu, i-Bu, s-Bu or t-Bu.

  本发明涉及新颖的3-苯基-氮杂环丙烷衍生物，用于调节哺乳动物大脑的脑皮层区域中多巴胺神经传递和儿茶酚胺、多巴胺和去甲肾上腺素的细胞外水平，更具体地用于治疗中枢神经系统疾病。在其他方面，本发明涉及包含本发明的3-苯基-氮杂环丙烷衍生物的药物组合物，以及利用这些化合物进行治疗应用。其中，X为OH；R1为F或Cl；R2为H、F或Cl；R3为n-Pr、i-Pr、n-Bu、i-Bu、s-Bu或t-Bu。