奥替他明 | 5580-32-5

• 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: 奥替他明
• 中文别名: 苄丙胺
• 英文名称: ortetamine
• 英文别名: 1-(o-tolyl)propan-2-amine；1-(2-methylphenyl)propan-2-amine
• CAS: 5580-32-5
• 化学式: C₁₀H₁₅N
• mdl: MFCD00868779
• 分子量: 149.236
• InChiKey: ZEMQBDFHXOOXLY-UHFFFAOYSA-N

物化性质

• 沸点：
  233.9±9.0 °C(Predicted)
• 密度：
  0.938±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  奥替他明 在 palladium on activated charcoal 、 甲酸 作用下， 生成 3,5-dimethyl-isoquinoline
  参考文献：
  名称：

  Hormonal control of a gene encoding a putative PDR5-like ABC transporter in periwinkle

  摘要：

  ATP binding cassette (ABC) transporters retain increasing attention since their implication in multidrug resistance has been demonstrated in several prokaryotic and eukaryotic cells. Many ARC proteins are known in various organisms but only few in higher plants. We report here on the characterization of a partial 955 bp clone (Cr-ABC1) isolated from a Catharanthus roseus cDNA library, which shows high homology (65% identity) with the TUR2 cDNA previously isolated from the water lens Spirodela polyrrhiza. Accumulation of Cr-ABC1 transcripts in cultured C. roseus cells was enhanced by cytokinin or methyl jasmonate addition to, or auxin suppression from the culture medium. In whole plants, the gene was mainly expressed in flowers.

  DOI：

  10.1080/12538078.2000.10515842
• 作为产物：
  描述：

  1-methyl-2-(prop-1-en-1-yl)benzene 在 10-phenyl-9-(2,4,6-trimethylphenyl)acridinium tetrafluoroborate 、 碳酸氢铵 、 2-氨基苯硫醇 作用下， 以 二氯甲烷 、 氯苯 为溶剂， 反应 12.0h， 以73%的产率得到奥替他明
  参考文献：
  名称：

  通过选择性无金属加氢胺化直接从烯烃中获取伯胺

  摘要：

  由容易获得的前体直接和选择性合成伯胺是有吸引力的，但仍具有挑战性。在此，我们报道了室温下通过无金属的区域选择性加氢胺从烯烃快速合成伯胺的方法。碳酸铵首次用作氨替代物，可在温和条件下将末端和内部烯烃有效转化为线性，α支化和α叔伯胺。该方法提供了一种直接而有效的方法，可用于制药化学和其他领域特别感兴趣的各种先进的，高度官能化的伯胺。

  DOI：

  10.1002/anie.202016679

文献信息

• [EN] COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF<br/>[FR] COMPOSES AYANT UNE ACTIVITE AU NIVEAU DU RECEPTEUR 5HT2C ET LEURS UTILISATIONS
  申请人：GLAXO GROUP LTD

  公开号：WO2004081010A1

  公开（公告）日：2004-09-23

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are disclosed: wherein Q is phenyl or a 6-membered heteroaromatic group containing at least one nitrogen atom; A is -(CH2-CH2)-, -(CH=CH)-, -(CH2)3-, -C(CH3)2-, -(CH=CH-CH2)-, or a group -(CHR3)- wherein R3 is hydrogen, halogen, hydroxy, cyano, nitro, C1-6alkyl, C3-7cycloalkyl, C3-7cycloalkyloxy, haloC1-6alkyl, C1-6alkoxy, haloC1-6alkoxy or C1-6alkylthio; B is O, S or NR11, wherein R11 is hydrogen, C1-6alkyl optionally substituted by C1-6alkoxy, or is C1-6alkanoyl optionally substituted by C1-6alkoxy; R1 is halogen, cyano, C1-6alkyl, C3-7cycloalkyl, C3-7cycloalkyloxy, C1-6alkoxy, C1-6alkylthio, hydroxy, amino, mono- or di-C1- 6alkylamino, an N-linked 4 to 7 membered heterocyclic group, nitro, haloC1-6alkyl, haloC1-6alkoxy, aryl, arylC1-6alkyl, arylC1-6alkyloxy, arylC1-6alkylthio, COR4 (wherein R4 is amino, mono- or di-C1-6alkylamino or an N-linked 4 to 7 membered heterocyclic group), COOR5 or COR6 (wherein R5 and R6 are independently hydrogen or C1-6alkyl); p is 0, 1 or 2 or 3; R2 is hydrogen, halogen, hydroxy, cyano, nitro, C1-6alkyl, C1-6alkanoyl, C3-7cycloalkyl, C3-7cycloalkyloxy, haloC1-6alkyl, C1-6alkoxy, haloC1-6alkoxy, C1-6alkylthio, amino, mono- or di-C1-6alkylamino or an N-linked 4 to 7 membered heterocyclic group; X is oxygen, sulfur, -CH2- or NR8 wherein R8 is hydrogen or C1-6alkyl; Y is a single bond, -CH2-, -(CH2)2- or -CH=CH-; and Z is an optionally substituted N-linked heterocyclic group or a C-linked 4 to 7 membered heterocyclic group containing at least one nitrogen, or Z is -NR9R10 where R9 and R10 are independently hydrogen or C1-6alkyl. Method of preparation and uses thereof in therapy, such as for example in treatment of depression and anxiety, are also disclosed.

  公开了具有式（I）的化合物及其药学上可接受的盐：其中Q是苯或含有至少一个氮原子的6元杂芳基团；A是-(CH2- )-，-(CH=CH)-，-( )3-，-C(CH3)2-，-(CH=CH- )-，或一个-(CHR3)-基团，其中R3是氢，卤素，羟基，氰基，硝基，C1-6烷基，C3-7环烷基，C3-7环烷氧基，卤代C1-6烷基，C1-6烷氧基，卤代C1-6烷氧基或C1-6烷基硫基；B是O，S或NR11，其中R11是氢，C1-6烷基，可选择地被C1-6烷氧基取代，或是C1-6烷酰基，可选择地被C1-6烷氧基取代；R1是卤素，氰基，C1-6烷基，C3-7环烷基，C3-7环烷氧基，C1-6烷氧基，C1-6烷基硫基，羟基，氨基，单或双C1-6烷基氨基，N-连接的4到7成员杂环基团，硝基，卤代C1-6烷基，卤代C1-6烷氧基，芳基，芳基C1-6烷基，芳基C1-6烷氧基，芳基C1-6烷硫基，COR4（其中R4是氨基，单或双C1-6烷基氨基或N-连接的4到7成员杂环基团），COOR5或COR6（其中R5和R6独立地是氢或C1-6烷基）；p是0，1，2或3；R2是氢，卤素，羟基，氰基，硝基，C1-6烷基，C1-6烷酰基，C3-7环烷基，C3-7环烷氧基，卤代C1-6烷基，C1-6烷氧基，卤代C1-6烷氧基，C1-6烷基硫基，氨基，单或双C1-6烷基氨基或N-连接的4到7成员杂环基团；X是氧，硫，- -或NR8，其中R8是氢或C1-6烷基；Y是单键，- -，-( )2-或-CH=CH-；Z是一个可选择地取代的N-连接杂环基团或含有至少一个氮的C-连接的4到7成员杂环基团，或Z是-NR9R10，其中R9和R10独立地是氢或C1-6烷基。还公开了其制备方法及在治疗中的用途，例如在抑郁症和焦虑症的治疗中。
• [EN] SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1<br/>[FR] AGONISTES À PETITES MOLÉCULES DE RÉCEPTEUR DE NEUROTENSINE 1
  申请人：SANFORD BURNHAM MED RES INST

  公开号：WO2014100501A1

  公开（公告）日：2014-06-26

  Provided herein are small molecule neurotensin receptor agonists, compositions comprising the compounds, and methods of using the compounds and compositions comprising the compounds.

  提供的是小分子神经降压素受体激动剂，包含这些化合物的组合物，以及使用这些化合物和包含这些化合物的组合物的方法。
• [EN] QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING AFFINITY FOR 5HT1-TYPE RECEPTORS<br/>[FR] DERIVES DE QUINOLINE ET DE QUINAZOLINE PRESENTANT UNE AFFINITE VIS-A-VIS DES RECEPTEURS DU TYPE 5HT1
  申请人：GLAXO GROUP LTD

  公开号：WO2005014552A1

  公开（公告）日：2005-02-17

  Compounds of formula (I) and pharmaceutically acceptable salts thereof are provided: wherein R1, m, X, R2, n, W, p, Y, Z, R3, R4, R5 and q have the meanings as defined in the description. Methods of preparation and uses thereof in therapy, particularly for CNS disorders such as depression or anxiety, are also disclosed.

  提供了式(I)的化合物及其药用盐：其中R1、m、X、R2、n、W、p、Y、Z、R3、R4、R5和q的含义如描述中所定义。还公开了制备方法以及在治疗中的用途，特别是用于抑郁症或焦虑等中枢神经系统疾病。
• [EN] 5-HT2C RECEPTOR AGONISTS AND COMPOSITIONS AND METHODS OF USE<br/>[FR] AGONISTES DE RÉCEPTEUR 5-HT2C ET COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：ARENA PHARM INC

  公开号：WO2017023679A1

  公开（公告）日：2017-02-09

  Provided in some embodiments are compounds of Formula A, as defined herein, that modulate the activity of 5-HT2C receptor. Also provided in some embodiments are methods, such as, for weight management, inducing satiety, and decreasing food intake, and for preventing and treating obesity, antipsychotic-induced weight gain, type 2 diabetes, Prader-Willi syndrome, tobacco/nicotine dependence, drug addiction, alcohol addiction, pathological gambling, reward deficiency syndrome, and sex addiction), obsessive-compulsive spectrum disorders and impulse control disorders (including nail-biting and onychophagia), sleep disorders (including insomnia, fragmented sleep architecture, and disturbances of slow-wave sleep), urinary incontinence, psychiatric disorders (including schizophrenia, anorexia nervosa, and bulimia nervosa), Alzheimer disease, sexual dysfunction, erectile dysfunction, epilepsy, movement disorders (including parkinsonism and antipsychotic-induced movement disorder), hypertension, dyslipidemia, nonalcoholic fatty liver disease, obesity-related renal disease, and sleep apnea.

  在某些实施例中提供了一些符合本文所定义的A式化合物，其调节5-HT2C受体的活性。在某些实施例中还提供了一些方法，例如用于体重管理、诱导饱腹感、减少食物摄入，以及预防和治疗肥胖、抗精神病药物引起的体重增加、2型糖尿病、普拉德-威利综合征、烟草/尼古丁依赖、药物成瘾、酒精成瘾、病理性赌博、奖赏缺乏综合征和性成瘾，强迫症谱系障碍和冲动控制障碍（包括咬指甲和咬甲症），睡眠障碍（包括失眠、睡眠结构碎裂和慢波睡眠紊乱），尿失禁，精神障碍（包括精神分裂症、厌食症和暴食症），阿尔茨海默病，性功能障碍，勃起功能障碍，癫痫，运动障碍（包括帕金森病和抗精神病药物引起的运动障碍），高血压，血脂异常，非酒精性脂肪肝病，肥胖相关肾脏疾病和睡眠呼吸暂停症。
• [EN] COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE<br/>[FR] COMBINAISON DE MODULATEURS DU CB2 ET D'INHIBITEURS DE LA PDE4 UTILISEE EN MEDECINE
  申请人：GLAXO GROUP LTD

  公开号：WO2005074939A1

  公开（公告）日：2005-08-18

  Combination of one or more CB2 modulators such as a compound of formula (I), (II) and (III); and one more PDE4 inhibitors are useful of treating conditions which are mediated by the activity of CB2 receptors or conditions which are mediated by PDE4, such as an immune disorder, an inflamatory disorder, pain, rheumatoid.

  一种或多种CB2调节剂的组合，例如式(I)、(II)和(III)的化合物；以及一种或多种PDE4抑制剂对于治疗由CB2受体活性介导的疾病或由PDE4介导的疾病，如免疫紊乱、炎症性疾病、疼痛、类风湿等症状是有用的。