N-(3-iodophenyl)cyanamide | 192989-97-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(3-iodophenyl)cyanamide
• 英文别名: 3-iodophenylcyanamide；(3-Iodophenyl)cyanamide
• CAS: 192989-97-2
• 化学式: C₇H₅IN₂
• 分子量: 244.035
• InChiKey: QVRRJLFQRFWRES-UHFFFAOYSA-N

物化性质

• 沸点：
  275.0±42.0 °C(Predicted)
• 密度：
  1.962±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(3-iodophenyl)cyanamide 在 盐酸 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 、 mineral oil 为溶剂， 反应 39.0h， 生成 CNS 1261
  参考文献：
  名称：

  新的N-芳基-N '-（3-（取代）苯基）-N'-甲基胍导致潜在的PET放射性配体，用于对开放的NMDA受体进行成像

  摘要：

  一个广阔的组ñ -芳基- ñ ' - （3-（取代的）苯基） - ñ '在为新的线索以预期PET配体的搜索制备用于所述的开口通道的成像-methylguanidines Ñ甲基d -体内天冬氨酸（NMDA）受体。所述Ñ芳基环和它们的取代基是变化的，而Ñ甲基组保持作为与正电子发射体，碳-11（潜在标记的位点吨1/2  = 20.4分钟）。在微摩尔浓度下，超过一半的制备化合物强烈抑制了[ 3H] TCP与其在体外NMDA受体中的结合位点有关。四个配体显示出与有希望的SPECT放射性配体（[ 123 I] CNS1261）相似或更高的亲和力。3'-二甲基氨基（19 ; ķ我36.7纳米），3'-三氟甲基（20 ; ķ我18.3 1nM）和3'-甲硫基（2 ; ķ我39.8纳米）的衍生物ñ -1-萘基Ñ ' -已确定（苯基）-N'-甲基胍是PET放射性配体发展的特别有吸引力的先导。

  DOI：

  10.1016/j.bmcl.2014.11.066
• 作为产物：
  描述：

  溴化氰 、 3-碘苯胺 以 乙醚 、 乙腈 为溶剂， 反应 24.0h， 以51%的产率得到N-(3-iodophenyl)cyanamide
  参考文献：
  名称：

  新的N-芳基-N '-（3-（取代）苯基）-N'-甲基胍导致潜在的PET放射性配体，用于对开放的NMDA受体进行成像

  摘要：

  一个广阔的组ñ -芳基- ñ ' - （3-（取代的）苯基） - ñ '在为新的线索以预期PET配体的搜索制备用于所述的开口通道的成像-methylguanidines Ñ甲基d -体内天冬氨酸（NMDA）受体。所述Ñ芳基环和它们的取代基是变化的，而Ñ甲基组保持作为与正电子发射体，碳-11（潜在标记的位点吨1/2  = 20.4分钟）。在微摩尔浓度下，超过一半的制备化合物强烈抑制了[ 3H] TCP与其在体外NMDA受体中的结合位点有关。四个配体显示出与有希望的SPECT放射性配体（[ 123 I] CNS1261）相似或更高的亲和力。3'-二甲基氨基（19 ; ķ我36.7纳米），3'-三氟甲基（20 ; ķ我18.3 1nM）和3'-甲硫基（2 ; ķ我39.8纳米）的衍生物ñ -1-萘基Ñ ' -已确定（苯基）-N'-甲基胍是PET放射性配体发展的特别有吸引力的先导。

  DOI：

  10.1016/j.bmcl.2014.11.066

文献信息

• 4-substituted piperidine analogs and their use as subtype selective NMDA
  申请人：Warner-Lambert Company

  公开号：US06130234A1

  公开（公告）日：2000-10-10

  Novel 4-substituted piperidine analogs, pharmaceutical compositions containing the same and the method of using 4-substituted piperidine analogs as selectively active antagonists of N-methyl-D-aspartate (NMDA) receptor subtypes for treating conditions such as stroke, cerebral ischemia, central nervous system trauma, hypoglycemia, anxiety, convulsions, aminoglycoside antibiotics-induced hearing loss, migraine headaches, glaucoma, CMV retinitis, chronic pain, opioid tolerance or withdrawals, or neurodegenerative disorders, such as lathyrism, Alzheimer's Disease, Parkinsonism and Huntington's Disease are described. Also described are novel methods for preparing 4-substituted piperidine analogs and novel intermediates of the 4-substituted piperidine analogs.

  新型4-取代哌啶类似物，含有这些类似物的药物组合物以及将4-取代哌啶类似物作为选择性活性N-甲基-D-天冬氨酸（NMDA）受体亚型拮抗剂治疗中风、脑缺血、中枢神经系统创伤、低血糖、焦虑、抽搐、氨基糖苷类抗生素引起的听力损失、偏头痛、青光眼、巨细胞病毒性视网膜炎、慢性疼痛、阿片类耐受性或戒断症状，或神经退行性疾病，如拉蒂病、阿尔茨海默病、帕金森病和亨廷顿病的治疗方法被描述。还描述了制备4-取代哌啶类似物的新方法以及4-取代哌啶类似物的新中间体。
• Novel 5-phenyl-1h-indole derivatives as antagonists of interleukine-8 receptors
  申请人：——

  公开号：US20040138287A1

  公开（公告）日：2004-07-15

  The present invention relates to the 5-phenyl-1H-indole derivatives of formula (I): 1 in which R 1 , R 2 , R 3 and R 4 are as defined in claim 1 , and their pharmaceutically acceptable salts, solvates and hydrates. The invention further relates to pharmaceutical compositions containing them and to their use in the preparation of drugs for the treatment of diseases dependent on the activation of the CXCR2 of interleukin-8 and chemokines of the same family.

  本发明涉及公式(I)的5-苯基-1H-吲哚衍生物：其中R1、R2、R3和R4如权利要求1所定义，以及它们的药学上可接受的盐、溶剂和水合物。该发明还涉及含有它们的药物组合物，并用于制备依赖于CXCR2的白细胞介素-8和同一家族趋化因子激活的疾病治疗药物。
• 4-Substituted piperidine analogs and their use as subtype selective NMDA receptor, antagonists
  申请人：——

  公开号：US20030105133A1

  公开（公告）日：2003-06-05

  Novel 4-substituted piperidine analogs, pharmaceutical compositions containing the same and the method of using 4-substituted piperidine analogs as selectively active antagonists of N-methyl-D-aspartate (NMDA) receptor subtypes for treating conditions such as stroke, cerebral ischemia, central nervous system trauma, hypoglycemia, anxiety, convulsions, aminoglycoside antibiotics-induced hearing loss, migraine headaches, glaucoma, CMV retinitis, chronic pain, opioid tolerance or withdrawals, or neurodegenerative disorders, such as lathyrism, Alzheimer's Disease, Parkinsonism and Huntington's Disease are described. Also described are novel methods for preparing 4-substituted piperidine analogs and novel intermediates of the 4-substituted piperidine analogs.

  本文介绍了新型4-取代哌啶类似物、含有相同成分的制药组合物以及使用4-取代哌啶类似物作为选择性活性N-甲基-D-天门冬氨酸（NMDA）受体亚型拮抗剂治疗中风、脑缺血、中枢神经系统创伤、低血糖、焦虑、惊厥、氨基糖苷类抗生素引起的听力损失、偏头痛、青光眼、巨细胞病毒性视网膜炎、慢性疼痛、阿片类耐受或戒断综合征或神经退行性疾病，如拉蒂病、阿尔茨海默病、帕金森病和亨廷顿病的条件。还介绍了制备4-取代哌啶类似物的新方法和4-取代哌啶类似物的新中间体。
• Synthesis and in vitro evaluation of N,N′-diphenyl and N-naphthyl-N′-phenylguanidines as N-methyl-d-aspartate receptor ion-channel ligands
  作者：Filip Dumont、Abida Sultana、Rikki N Waterhouse

  DOI：10.1016/s0960-894x(02)00235-4

  日期：2002.6

  A series of N,N'-diphenyl and N-naphthyl-N'-phenyl guanidine derivatives was synthesized as potential N-methyl-D-aspartate (NMDA) receptor positron emission tomography (PET) ligands. The affinity of the different compounds was determined using in vitro receptor binding assays, and their log P values were estimated using HPLC analysis. The effect of N'-3 and N-3,5 substitution on affinity and lipophilicity was examined. The K-i values ranged from 1.87 to 839 nM, while log P values between 1.22 and 2.88 were observed. (C) 2002 Elsevier Science Ltd. All rights reserved.
• 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0869791A1

  公开（公告）日：1998-10-14