盐酸对碘可乐定 | 108294-53-7

• 物质功能分类: 分析化学 - 标准品 - 法医和兽医标准品
• 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: 盐酸对碘可乐定
• 中文别名: 2-[(2,6-二氯-4-碘苯基)亚氨基]咪唑啉盐酸盐
• 英文名称: p-[¹²⁵I]iodoclonidine
• 英文别名: iodoclonidine；p-Iodoclonidine；N-(2,6-dichloro-4-iodophenyl)-4,5-dihydro-1H-imidazol-2-amine
• CAS: 108294-53-7
• 化学式: C₉H₈Cl₂IN₃
• 分子量: 355.993
• InChiKey: HSRPTPAPMBHRRJ-UHFFFAOYSA-N

物化性质

• 溶解度：
  可溶于水中
• 稳定性/保质期：

  常温常压下稳定，避免与光和氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  36.4
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S36/37/39
• 危险类别码：
  R20/21/22
• WGK Germany：
  3
• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  盐酸对碘可乐定 在 sodium hydroxide 、 sodium iodide 、 三甲基乙酸 作用下， 反应 2.0h， 生成 para-iodoclonidine
  参考文献：
  名称：

  Radioiodinated p-iodoclonidine. A high-affinity probe for the .alpha.2-adrenergic receptor

  摘要：

  The chemical synthesis of 2-[(2,6-dichloro-4-iodophenyl)imino]imidazolidine (PIC) and its radioiodinated analogue [125I]PIC is described. PIC was synthesized from 2,6-dichloroaniline in five synthetic steps. This agent displayed a high affinity for the alpha 2-adrenergic receptor (IC50 = 1.5 nM) in competitive binding assays conducted with purified human platelet plasma membrane fractions. For the synthesis of radioiodinated PIC the triazene intermediate 11 was synthesized from 2,6-dichloro-4-nitroaniline in five synthetic steps. Acid-catalyzed decomposition of 11 with no-carrier-added Na125I afforded high specific activity [125I]PIC. In view of its high affinity for the alpha 2-adrenergic receptor, [125I]PIC is a potentially useful probe for studies in adrenergic pharmacology.

  DOI：

  10.1021/jm00390a021
• 作为产物：
  描述：

  (2,6-dichloro-4-iodophenyl)thiourea 以 甲醇 、 乙醇 为溶剂， 反应 20.0h， 生成 盐酸对碘可乐定
  参考文献：
  名称：

  Radioiodinated p-iodoclonidine. A high-affinity probe for the .alpha.2-adrenergic receptor

  摘要：

  The chemical synthesis of 2-[(2,6-dichloro-4-iodophenyl)imino]imidazolidine (PIC) and its radioiodinated analogue [125I]PIC is described. PIC was synthesized from 2,6-dichloroaniline in five synthetic steps. This agent displayed a high affinity for the alpha 2-adrenergic receptor (IC50 = 1.5 nM) in competitive binding assays conducted with purified human platelet plasma membrane fractions. For the synthesis of radioiodinated PIC the triazene intermediate 11 was synthesized from 2,6-dichloro-4-nitroaniline in five synthetic steps. Acid-catalyzed decomposition of 11 with no-carrier-added Na125I afforded high specific activity [125I]PIC. In view of its high affinity for the alpha 2-adrenergic receptor, [125I]PIC is a potentially useful probe for studies in adrenergic pharmacology.

  DOI：

  10.1021/jm00390a021

文献信息

• [EN] IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS<br/>[FR] LIGANDS DU RÉCEPTEUR AUX IMIDAZOLINES DE TYPE 1 À UTILISER EN TANT QU'AGENTS THÉRAPEUTIQUES
  申请人：RIDEOUT DARRYL

  公开号：WO2016105448A1

  公开（公告）日：2016-06-30

  This disclosure provides compounds and compositions for use as analgesics and for the treatment of various conditions, such as pain, headaches, allodynia, and fibromyalgia. The disclosure also provides compounds that are ligands, and in some embodiments, modulators (e.g., agonists), for the imidazoline receptor type 1.

  本公开提供了作为止痛剂和用于治疗各种病症的化合物和组合物，如疼痛、头痛、触痛和纤维肌痛。本公开还提供了作为嘌呤受体1的配体的化合物，有些实施例中还提供了对其的调节剂（例如，激动剂）。
• [EN] COMPOUNDS FOR USE AS PAIN THERAPEUTICS<br/>[FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS EN TANT QU'AGENTS THÉRAPEUTIQUES CONTRE LA DOULEUR
  申请人：LEDERMAN SETH

  公开号：WO2016105449A1

  公开（公告）日：2016-06-30

  This disclosure provides compounds and compositions for use as analgesics and for the treatment of one or more conditions selected from: pain; psychic pain; psychological pain; psychiatric pain; depression; allodynia; fibromyalgia; fibromyalgia-ness; central sensitization; centralization; regional pain syndrome; temporomandibular joint syndrome (TMJ); lower back pain; interstitial cystitis; Gulf War syndrome; visceral pain; phantom limb painj.kidney stones; gout; neuropathic pain; post-herpetic neuralgia; diabetic neuropathy; sickle cell pain; priapism; nociceptive pain; post-operative pain; orthopedic injury pain; bunionectomy; dental extraction; pain after severed spinal cord injury; osteoarthritis; rheumatoid arthritis; Lyme disease; Parkinson's disease; opioid-induced constipation; an opioid withdrawal symptom; pain associated with post-traumatic stress disorder (PTSD); and combinations of any of the foregoing conditions. This disclosure also provides compounds that are ligands, and in some embodiments, modulators (e.g., agonists), for the imidazoline receptor type 1.

  本公开提供了用作镇痛剂和用于治疗以下一种或多种疾病的化合物和组合物：疼痛；心理疼痛；心理疼痛；精神疼痛；抑郁症；痛觉过敏；纤维肌痛；纤维肌痛症；中枢敏感化；中枢化；区域性疼痛综合征；颞下颌关节综合征（TMJ）；腰部疼痛；间质性膀胱炎；海湾战争综合征；内脏疼痛；幻肢疼痛；肾结石；痛风；神经性疼痛；带状疱疹后神经痛；糖尿病性神经病；镰状细胞疼痛；阴茎长时间勃起症；伤害性疼痛；术后疼痛；骨科损伤疼痛；拇外翻术；牙科拔牙；断裂脊髓损伤后疼痛；骨关节炎；类风湿关节炎；莱姆病；帕金森病；阿片类药物引起的便秘；阿片类药物戒断症状；与创伤后应激障碍（PTSD）相关的疼痛；以及上述任何疾病的组合。本公开还提供了作为咪唑啉受体类型1的配体的化合物，有些实施例中是调节剂（例如，激动剂）。
• Stereoisomers with high affinity for adrenergic receptors
  申请人：——

  公开号：US20030105332A1

  公开（公告）日：2003-06-05

  The present invention provides stereoscopically-pure diastereomers of Formula I: 1 In a preferred embodiment, the stereoisomers of the present invention are of Formula II, depicted below: 2 R 2 , R 3 and le are independently H, OH, OCH 3 , CH 2 OH, NHCONH 2 , NH 2 , halogen or CF 3 , and R 1 is pyridine, or an amine which may be substituted with hydrogen, lower alkyl, lower alkylenearyl, lower alkylenephenyl, lower alkylenehydroxyphenyl, lower alkyleneamine, lower alkyleneaminoaryl, lower alkylaminohydroxyphenyl, or a similar functional group. TV is hydrogen, hydroxyl or methyl; R 6 is hydrogen, lower alkyl, lower alkylenaryl, lower alkylenephenyl, lower alkylenehydroxyphenyl, lower alkyleneamine, lower alkyleneaminoaryl, lower alkylaminohydroxyphenyl, and the like. For both Formula I and Formual II, the firs carbon on the side chain progressing from the ring is preferably in the R-configuration. The second carbon atom on the side chain of Formula II, which is attached to IV, may or may not be a chiral center. However, when the second carbon atom is a chiral center, it is preferably in the S-configuration. The present invention contemplates each stereoisomer of Formula I and II in substantially-pure form. The present invention also provides methods of relieving nasal, sinus and bronchial congestion and of treating attention deficit hyperactivity disorder and obesity. The present stereoisomers may also be used to induce pupil dilation. These methods include administering to a mammal a composition containing a therapeutically effective amount of a stereoscopically-pure stereoisomer of Formula I or II with a pharmaceutically acceptable excipient.

  本发明提供了公式I的立体纯异构体：在一种优选实施方式中，本发明的立体异构体为下图所示的公式II：R2、R3和le分别独立地为H、OH、OCH3、CH2OH、NHCONH2、NH2、卤素或CF3，而R1为吡啶，或者可能被氢、低烷基、低烷基芳基、低烷基苯基、低烷基羟基苯基、低烷基胺基、低烷基氨基芳基、低烷基氨基羟基苯基或类似官能团取代的胺。TV为氢、羟基或甲基；R6为氢、低烷基、低烷基芳基、低烷基苯基、低烷基羟基苯基、低烷基胺基、低烷基氨基芳基、低烷基氨基羟基苯基等。对于公式I和公式II，从环中延伸的侧链上的第一个碳原子最好处于R构型。公式II侧链上与IV相连的第二个碳原子可能是手性中心，也可能不是。然而，当第二个碳原子是手性中心时，最好处于S构型。本发明考虑了公式I和II的每个立体异构体基本纯净形式。本发明还提供了缓解鼻腔、鼻窦和支气管充血、治疗注意力缺陷多动障碍和肥胖的方法。本发明的立体异构体也可用于诱导瞳孔扩张。这些方法包括向哺乳动物投与含有公式I或II的立体纯异构体的药学可接受的赋形剂的治疗有效量的组合物。
• Nitrosated and Nitrosylated Compounds, Compositions and Methods for the Treatment of Ophthalmic Disorders
  申请人：Letts L. Gordon

  公开号：US20080300292A1

  公开（公告）日：2008-12-04

  The invention describes novel nitrosated and/or nitrosylated compounds or pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated and/or nitrosylated compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel compositions and kits comprising at least one compound of the invention, that is optionally nitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides methods for treating ophthalmic disorders. The nitrosated and/or nitrosylated compounds are preferably nitrosated and/or nitrosylated (3-adrenergic antagonists and nitrosated and/or nitrosylated angiotensin-converting enzyme (ACE) inhibitors.

  本发明描述了新型的硝化和/或亚硝化化合物或其药学上可接受的盐，以及至少包含一种硝化和/或亚硝化化合物的新型组合物，以及可选地，至少一种一氧化氮供体和/或至少一种治疗剂。本发明还提供了至少包含本发明化合物的新型组合物和套件，该化合物可选择进行硝化和/或亚硝化，以及可选地，至少一种一氧化氮供体化合物和/或至少一种治疗剂。本发明还提供了治疗眼科疾病的方法。硝化和/或亚硝化化合物最好是硝化和/或亚硝化的（3-肾上腺素受体拮抗剂和硝化和/或亚硝化的血管紧张素转换酶（ACE）抑制剂）。
• (+)-ephedrine as a sympathomimetic drug
  申请人：Warner-Lambert Company LLC

  公开号：EP1310247A1

  公开（公告）日：2003-05-14

  A pharmaceutical composition containing a therapeutically effective amount of (+)-ephedrine and a pharmaceutically aceptable carrier, wherein the composition is substantially free of (-)-ephedrine. The pharmaceutical composition in useful as a decongestant, appetite suppressant, and for treating other conditions often treated with sympathomimetic drugs. The (+)-ephedrine used in the present compositions and methods is substantially free of (-)-ephedrine, and of the adverse side effects associated with administration of (-)-ephedrine.

  一种药物组合物，含有治疗有效量的(+)-麻黄碱和一种药学上可接受的载体，其中该组合物基本上不含(-)-麻黄碱。该药物组合物可用作减充血剂、食欲抑制剂，也可用于治疗经常使用拟交感神经药物治疗的其他病症。本组合物和方法中使用的(+)-麻黄碱基本上不含(-)-麻黄碱，也不会产生与服用(-)-麻黄碱相关的不良副作用。