氯普噻吨杂质 | 4546-35-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 中文名称: 氯普噻吨杂质
• 英文名称: chlorprothixene
• 英文别名: (E)-Chlorprothixene；Chlorprothixin；chlorprothixen；2-Chlor-N,N-dimethyl-thioxanthen-Δ^9,γ-propylamin；2-Chlor-N,N-dimethyl-xanthen-Δ^9,γ-propylamin；(3E)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine；(3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
• CAS: 4546-35-4
• 化学式: C₁₈H₁₈ClNS
• 分子量: 315.867
• InChiKey: WSPOMRSOLSGNFJ-VGOFMYFVSA-N

物化性质

• 熔点：
  98-99 °C
• 沸点：
  435.0±45.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)
• 颜色/状态：
  Pale yellow crystals.
• 气味：
  SLIGHT AMINE-LIKE ODOR
• 溶解度：
  PRACTICALLY INSOL IN WATER; 1 G SOL IN 25 ML ALCOHOL, 10 ML ETHER, 2 ML CHLOROFORM
• 稳定性/保质期：
  SENSITIVE TO LIGHT & AIR
• 分解：
  When heated to decomposition it emits toxic fumes of /hydrogen chloride, sulfur oxide, and nitrogen oxide/.
• 保留指数：
  2452;2460;2481;2487;2503.3;2510;2450;2487;2465.1;2501;2510;2449.5

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  28.5
• 氢给体数：
  0
• 氢受体数：
  2

ADMET

代谢

肝脏 半衰期：8至12小时

Hepatic Half Life: 8 to 12 hours

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

氯丙嗪阻断大脑中的突触后边缘多巴胺能D1和D2受体；抑制下丘脑和垂体激素的释放，并认为它可以抑制网状激活系统，从而影响基础代谢、体温、觉醒、血管紧张度以及呕吐。

Chlorprothixene blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis.

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类无致癌性（未列入国际癌症研究机构IARC清单）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服；肌肉注射。生物利用度不完全。

Oral; intramuscular injection. Incomplete bioavailability.

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

过量症状包括呼吸困难（严重）、眩晕（严重）、嗜睡（严重）、肌肉震颤、抽搐、僵硬或不受控制的动作（严重）、瞳孔缩小、异常兴奋以及不寻常的疲乏或虚弱（严重）。

Symptoms of overdose include difficulty in breathing (severe), dizziness (severe), drowsiness (severe), muscle trembling, jerking, stiffness, or uncontrolled movements (severe), small pupils, unusual excitement, and unusual tiredness or weakness (severe).

来源:Toxin and Toxin Target Database (T3DB)

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  氯普噻吨杂质 在 potassium permanganate 、 18-冠醚-6 作用下， 以 苯 为溶剂， 生成 2-氯噻吨酮
  参考文献：
  名称：

  氯噻吨中毒病例中胃吸出物中2-氯噻吨酮-9-的鉴定

  摘要：

  在严重氯丙噻吩中毒的一例胃液中，发现了大量（约占氯丙噻吩的30％）以前无法识别的化合物，并通过GLC-低分辨质谱和高分辨质谱法初步鉴定为2-氯噻吨-9。分辨率质谱。通过两种方法合成2-氯噻吨-then-9-one后，验证了未知化合物的身份。当溶解在酸，碱，氯仿-异丙醇，甲醇或胃液中的氯丙噻吩在黑暗中储存时，仅形成可忽略不计的2-氯噻吨酮-9-一。但是，大量药物在暴露于紫外线后会转化为2-氯噻吨9-9-。而且，当氯丙噻吩暴露于灯以及紫外线时，会形成大量未确定的降解产物。因此，在分析之前，应保护来自急性药物中毒病例的样品免受光照。

  DOI：

  10.1002/jps.2600700730
• 作为产物：
  描述：

  氯普噻吨 在 水 作用下， 以 乙腈 为溶剂， 生成 氯普噻吨杂质
  参考文献：
  名称：

  Photophysics and Photochemistry ofz-Chlorprothixene in Acetonitrile

  摘要：

  AbstractChlorprothixene (CPTX, Taractan®) is a low potency antipsychotic mainly used for the treatment of psychotic disorders (e.g. schizophrenia) and acute mania occurring as part of bipolar disorders. As in the case of other numerous drugs used in the treatment of psychiatric disorders, CPTX presents geometric isomerism. Therefore, in vitro irradiation induces a rapid Z/E isomerization, which can affect its pharmacokinetic properties. This photoisomerization is not dependent on the oxygen concentration. The Z/E quantum yields determined for zCPTX in acetonitrile are 0.22 and 0.21 in anaerobic and aerobic environments, respectively. In the presence of water, both isomers decompose to produce 2‐chlorothioxanthone (CTX) after prolonged irradiation. This process strongly depends on the water concentration and the irradiation time, i.e. it is autocatalyzed by the CTX through a triplet‐energy transfer mechanism. The protonation state of the terminal amino group, on the other hand, has no effect on the isomerization process, but inhibits the formation of CTX. These results indicate that the phototoxicity of zCPTX is somehow affected by the formation of CTX.

  DOI：

  10.1111/j.1751-1097.2009.00584.x

文献信息

• [EN] Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy<br/>[FR] DÉRIVÉS D'AMINOTÉTRALINE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEUR UTILISATION EN THÉRAPIE
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2010092180A1

  公开（公告）日：2010-08-19

  The present invention relates to aminotetraline derivatives of the formula (I) or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such aminotetraline derivatives, and the use of such aminotetraline derivatives for therapeutic purposes. The aminotetraline derivatives are GIyT1 inhibitors.

  本发明涉及式(I)的氨基四氢喹啉衍生物或其生理可容忍的盐。该发明涉及包含这样的氨基四氢喹啉衍生物的药物组合物，以及将这样的氨基四氢喹啉衍生物用于治疗目的。所述氨基四氢喹啉衍生物是GIyT1抑制剂。
• PYRIDINE AND PIPERIDINE DERIVATIVES AND USE THEREOF
  申请人：Purdue Pharma L.P.

  公开号：US20150141434A1

  公开（公告）日：2015-05-21

  The invention provides compounds that are useful as sodium channel blockers. In one aspect, the invention provides compounds of Formula I: or pharmaceutically acceptable salts, solvates, hydrates, or diastereomers thereof, wherein R 1 , R 4 , X, G, n, p, W 1 , W 2 , W 3 , W 4 , and the E ring are defined in the disclosure. In certain embodiments, the invention provides compounds of Formulae II-XIII as set forth supra. The invention also provides the use of compounds of any of the above discussed formulae to treat a disorder responsive to blockade of sodium channels. In one embodiment, Compounds of the Invention are useful for treating pain.

  本发明提供了一种用作钠通道阻断剂的化合物。在一方面，本发明提供了公式I的化合物： 或其药用可接受的盐、溶剂化物、水合物或对映异构体，其中R1、R4、X、G、n、p、W1、W2、W3、W4和E环在公开中定义。在某些实施例中，本发明提供了上述公式II-XIII的化合物。本发明还提供了使用上述任何讨论公式的化合物来治疗对钠通道阻断有反应的疾病。在一个实施例中，发明化合物用于治疗疼痛。
• [EN] COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE<br/>[FR] COMPOSÉS PRÉSENTANT UNE ACTIVITÉ AU NIVEAU DU RÉCEPTEUR M1 ET LEURS UTILISATIONS EN MÉDECINE
  申请人：GLAXO GROUP LTD

  公开号：WO2009037294A1

  公开（公告）日：2009-03-26

  Compounds of formula (I) or a salt thereof are provided: wherein R4, R5, R6, Q, A, Y and R are as defined in the description. Uses of the compounds as medicaments and in the manufacture of medicaments for treating psychotic disorders, cognitive impairments and Alzheimer's Disease are disclosed. The invention further discloses pharmaceutical compositions comprising the compounds.

  提供具有公式(I)或其盐的化合物：其中R4、R5、R6、Q、A、Y和R按描述定义。披露了这些化合物作为药物的使用和在制造用于治疗精神病性障碍、认知障碍和阿尔茨海默病药物中的应用。本发明还公开了包含这些化合物的药物组合物。
• AMINOINDANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY
  申请人：POHLKI Frauke

  公开号：US20120040948A1

  公开（公告）日：2012-02-16

  The present invention relates to aminoindane derivatives of the formula (I) or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such aminoindane derivatives, and the use of such aminoindane derivatives for therapeutic purposes. The aminoindane derivatives are GlyT1 inhibitors.

  本发明涉及公式（I）的氨基茚衍生物或其生理耐受的盐。该发明涉及包含这种氨基茚衍生物的药物组合物，以及利用这种氨基茚衍生物进行治疗的用途。这些氨基茚衍生物是GlyT1抑制剂。
• Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof
  申请人：Mikamiyama Hidenori

  公开号：US20110136833A1

  公开（公告）日：2011-06-09

  The invention relates to tetrahydropyridinyl and dihydropyrrolyl compounds of Formula (I): and pharmaceutically acceptable salts, prodrugs, or solvates thereof, wherein X, Y, Z, R 1 , R 2 , m, and n are defined as set forth in the specification. The invention is also directed to the use of compounds of Formula (I) to treat a disorder responsive to the blockade of calcium channels, and particularly N-type calcium channels. Compounds of the present invention are especially useful for treating pain.

  这项发明涉及式(I)的四氢吡啶基和二氢吡咯基化合物，以及其药学上可接受的盐、前药或溶剂化合物，其中X、Y、Z、R1、R2、m和n的定义如规范中所述。该发明还涉及利用式(I)的化合物治疗对钙通道阻滞有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。

表征谱图