hydrogen cyanamide ion | 67131-47-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: hydrogen cyanamide ion
• 英文别名: cyanamide anion；Cyanoamide；iminomethylideneazanide
• CAS: 67131-47-9
• 化学式: CHN₂
• 分子量: 41.0323
• InChiKey: ZIPLUEXSCPLCEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl propanimidate hydrochloride 、 hydrogen cyanamide ion 、 磷酸肌酸 在 ice 、 NaSO4 作用下， 以 水 为溶剂， 反应 0.33h， 生成 ethyl (1E)-N-cyanopropanimidoate
  参考文献：
  名称：

  Imidazoles as Gaba- B Receptor Modulators

  摘要：

  本发明涉及一种新型咪唑衍生物，具有正向变构GABAB受体（GBR）调节剂作用，制备该化合物的方法以及它们的使用，可选与GABAB激动剂联合使用，用于抑制短暂性下食管括约肌松弛，治疗胃食管反流病，以及用于治疗功能性胃肠疾病和肠易激综合征（IBS）。该化合物由通式（I）表示，其中R1、R2、R3和R4如描述中所定义。例如，R1可以是烷基或芳基烷基，R2可以是烷基，R3可以是烷氧基，R4可以是含芳基的取代基。

  公开号：

  US20080312305A1
• 作为产物：
  描述：

  氰胺 、 氧气 以 neat (no solvent) 为溶剂， 生成 氰离子 、 氰酸 、 hydrogen cyanamide ion 、 cyanamide(2-)
  参考文献：
  名称：

  Photodissociation dynamics of the singlet and triplet states of the NCN radical

  摘要：

  The spectroscopy and photodissociation dynamics of the NCN radical have been investigated by fast beam photofragment translational spectroscopy. The B̃ 3Σu−←X̃ 3Σg−, c̃ 1Πu←ã 1Δg, and d̃ 1Δu←ã 1Δg transitions were examined. The major dissociation products for the B̃ 3Σu− and c̃ 1Πu states are N2(X̃ 1Σg+)+C(3P), while the d̃ 1Δu state dissociates to N2(X̃ 1Σg+)+C(1D). The dissociation channel, N(4S)+CN(X̃ 2Σ+) is observed for the B̃ 3Σu− state at photon energies greater than 4.9 eV, where it comprises ≈25±10% of the total signal. At all photon energies, the photofragment translational energy distributions show a resolved progression corresponding to the vibrational excitation of the N2 photofragment. The rotational distributions of the molecular fragments suggest that the dissociation pathway for the N2 loss channel involves a bent transition state while the N+CN photofragments are produced via a linear dissociation mechanism. The P(ET) distributions provide bond dissociation energies of 2.54±0.030 and 4.56±0.040 eV for the N2 and CN loss channels, respectively, yielding ΔHf,0 K(NCN)=4.83±0.030 eV.

  DOI：

  10.1063/1.479751

文献信息

• Compounds and methods for the treatment of prevention of flavivirus infections
  申请人：Shire BioChem Inc.

  公开号：US20030199503A1

  公开（公告）日：2003-10-23

  The present invention provides novel compounds represented by formula I: 1 or pharmaceutically acceptable salts thereof useful for treating flaviviridae viral infection.

  本发明提供了一种新的化合物，其公式表示为I：1，或其药学上可接受的盐，用于治疗黄病毒科病毒感染。
• Method of treating cartilage damage
  申请人：——

  公开号：US20040097405A1

  公开（公告）日：2004-05-20

  The invention relates to a method of preventing or treating cartilage damage by administering a GABA analog such as, for example, a compound of Formula 1 and pharmaceutically acceptable salts thereof, wherein R 1 is hydrogen or straight or branched lower alkyl, and n is an integer of from 4 to 6.

  本发明涉及一种通过给予GABA类似物（例如，公式1中的化合物及其药学上可接受的盐），其中R1为氢或直链或支链低烷基，n为4至6的整数，来预防或治疗软骨损伤的方法。
• Novel amines as pharmaceutical agents
  申请人：——

  公开号：US20030229054A1

  公开（公告）日：2003-12-11

  Novel amines of formulas 1A and 1B 1 are disclosed and are useful as agents in the treatment of epilepsy, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, inflammatory diseases, and gastrointestinal disorders, especially IBS. Processes for the preparation and intermediates useful in the preparation are also disclosed.

  揭示了化学式1A和1B1的新型胺类化合物，并可用作治疗癫痫、晕厥发作、低动力症、颅内疾病、神经退行性疾病、抑郁症、焦虑症、惊恐症、疼痛、神经病理性疾病、炎症性疾病以及肠胃疾病，特别是肠易激综合症的药物。还揭示了制备过程和制备中有用的中间体。
• RADIOHALOIMATINIBS AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS
  申请人：Bornmann William

  公开号：US20110097268A1

  公开（公告）日：2011-04-28

  We disclose methods of synthesizing radiohalidated organic compounds and their use in positron emission tomography (PET) imaging of cancer cells.

  我们披露了合成放射性卤代有机化合物的方法，并将其用于正电子发射断层扫描（PET）成像癌细胞。
• Methods and compositions related to wrapping of dehydrons
  申请人：Fernandez Ariel

  公开号：US08466154B2

  公开（公告）日：2013-06-18

  This application describes a novel technology in drug discovery and drug-based imaging/detection: the wrapping technology. This technology is based on identified singularities in the structure of soluble proteins. In contrast with drug-design approaches based on standard structural considerations, the packing of a protein, or more precisely, its dehydron pattern, may be used as a selectivity filter to design small-molecule inhibitors. The wrapping technology described herein is a novel form of rational drug design for avoiding side effects in drug therapy and sharpening the inhibitory impact of drugs on the oncokinome.

  该应用程序描述了一种新颖的药物发现和基于药物成像/检测的技术：包裹技术。该技术基于可溶性蛋白质结构中的已确定的奇点。与基于标准结构考虑的药物设计方法相比，蛋白质的包装，或更精确地说，其脱水模式，可以用作选择性过滤器，设计小分子抑制剂。此处描述的包裹技术是一种新形式的理性药物设计，用于避免药物治疗中的副作用，并增强药物对癌症基因组的抑制作用。