2-o-Tolyl-acetamidine | 6487-82-7

• 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: 2-o-Tolyl-acetamidine
• 英文别名: 2-(2-Methylphenyl)ethanimidamide
• CAS: 6487-82-7
• 化学式: C₉H₁₂N₂
• mdl: MFCD05663389
• 分子量: 148.208
• InChiKey: VKYKRPZTSDQWQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-o-Tolyl-acetamidine 、 4-氰基苯基异硫氰酸酯 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 1-(4-Cyano-phenyl)-3-(1-imino-2-o-tolyl-ethyl)-thiourea
  参考文献：
  名称：

  Evolution of anti-HIV drug candidates. Part 1: From α-Anilinophenylacetamide (α-APA) to imidoyl thiourea (ITU)

  摘要：

  Stemming from work on a previous clinical candidate, loviride, and other a-APA derivatives, a new series of potent non-nucleoside reverse transcriptase inhibitors (NNRTIs) has been synthesized. The ITU analogues, which contain a unique diarylated imidoyl thiourea, are very active in inhibiting both wild-type and clinically important mutant strains of HIV-1. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00410-3
• 作为产物：
  描述：

  邻甲基苯乙腈 在 三甲基铝 、 氯化铵 作用下， 以 甲苯 为溶剂， 生成 2-o-Tolyl-acetamidine
  参考文献：
  名称：

  Evolution of anti-HIV drug candidates. Part 1: From α-Anilinophenylacetamide (α-APA) to imidoyl thiourea (ITU)

  摘要：

  Stemming from work on a previous clinical candidate, loviride, and other a-APA derivatives, a new series of potent non-nucleoside reverse transcriptase inhibitors (NNRTIs) has been synthesized. The ITU analogues, which contain a unique diarylated imidoyl thiourea, are very active in inhibiting both wild-type and clinically important mutant strains of HIV-1. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00410-3

文献信息

• 4 (PYRROLOPYRIDINYL)PYRIMIDIN-2-YLAMINE DERIVATIVES
  申请人：Dorsch Dieter

  公开号：US20120264999A1

  公开（公告）日：2012-10-18

  Compounds of the formula (I), in which R 1 , R 2 , R 3 , R 4 and R 5 have the meanings indicated in claim 1 , are inhibitors of cell proliferation/|cell vitality and can be employed for the treatment of tumours

  化合物式（I）中，R1、R2、R3、R4和R5所表示的含义如权利要求书1所示，它们是细胞增殖/细胞活力的抑制剂，可用于肿瘤的治疗。
• THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES
  申请人：NV Remynd

  公开号：EP2094677B1

  公开（公告）日：2011-01-12
• US7960556B2
  申请人：——

  公开号：US7960556B2

  公开（公告）日：2011-06-14
• US8557977B2
  申请人：——

  公开号：US8557977B2

  公开（公告）日：2013-10-15
• [EN] CYANOAMIDINE P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN<br/>[FR] CYANOAMIDINES ANTAGONISTES DE P2X7 POUR LE TRAITEMENT DE LA DOULEUR
  申请人：ABBOTT LAB

  公开号：WO2006017406A1

  公开（公告）日：2006-02-16

  cyanoamidines compounds of formula (I) and (II) and their derivatives wherein R1 - R12 are as defined in the specification act as antagonists of the P2X7 receptor. These compounds are particularly useful in the treatment of pain, inflammation and neurodegeneration states.