acetohydrazide hydrochloride | 36147-94-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: acetohydrazide hydrochloride
• 英文别名: acetyl hydrazine hydrochloride；hydrazinoacetate hydrochloride；Acetamidoazanium;chloride；acetamidoazanium;chloride
• CAS: 36147-94-1
• 化学式: C₂H₇N₂O*Cl
• 分子量: 110.543
• InChiKey: UYRUJOSOEXZYLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.58
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.1
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  苯基膦酸二乙酯 、 acetohydrazide hydrochloride 生成 Phenylphosphonsaeure-diaethylester-acetylimin
  参考文献：
  名称：

  Kabachnik,M.I. et al., Journal of general chemistry of the USSR, 1962, vol. 32, p. 1581 - 1586

  摘要：

  DOI：

文献信息

• The Preparation of<i>N</i>-Acylpyrazoles and Their Behavior Toward Alcohols
  作者：Choji Kashima、Hajime Harada、Isanobu Kita、Iwao Fukuchi、Akira Hosomi

  DOI：10.1055/s-1994-25406

  日期：——

  According to four different methods, various types of N-acylpyrazoles were prepared from the corresponding pyrazoles and carboxylic acids or their acid chlorides. Although N-acylpyrazoles were inert to alcohols under neutral or weakly basic conditions, the alcoholysis was dramatically accelerated by the action of strong acid or base. On the basis of these chemical properties, the regioselective synthesis of methyl benzyl 2,2-dimethylglutarate was achieved by selective protection and functionalization of a carboxylic acid derivative using N-acylpyrazoles.

  根据四种不同的方法，从相应的吡唑和羧酸或其酰氯制备了多种类型的N-酰基吡唑。尽管在中性或弱碱性条件下，N-酰基吡唑对醇呈惰性，但强酸或碱的作用下，醇解反应显著加速。基于这些化学性质，通过选择性保护和功能化羧酸衍生物，成功实现了甲基苄基2,2-二甲基戊二酸酯的区域选择性合成。
• [EN] SUBSTITUTED PHENYLINDOLES FOR THE TREATMENT OF HIV<br/>[FR] PHENYLINDOLES SUBSTITUES DE TRAITEMENT DU VIH
  申请人：IDENIX CAYMAN LTD

  公开号：WO2004014364A1

  公开（公告）日：2004-02-19

  This invention is in the area of phenylindoles that are useful for the treatment of HIV infection, and, in particular, phenylindoles that exhibit significant activity against resistant strains of HIV. The phenylindoles have at least two substituents other than hydrogen on the benzo ring of the indole function, preferably at the 4' and 5', 5' and 6' or the 5' and 7' positions, optionally in combination with disubstitution at positions 3' and 5' on the phenyl ring of the compound, and carboxamide containing moieties at position-2 on the indole group of the compound. Methyl is a preferred group for substitution on the phenyl ring. Preferred substituents for the benzo ring of the indole function include but are not limited to chlorine, fluorine, bromine, iodine, CF3, methoxy, CN, and NO2­.

  这项发明涉及苯基吲哚领域，用于治疗HIV感染，特别是对抗HIV耐药菌株具有显著活性的苯基吲哚。这些苯基吲哚在吲哚功能的苯环上至少有两个取代基，除了氢，最好在4'和5'、5'和6'或5'和7'位置，可选地与化合物的苯环上的3'和5'位置二取代结合，并且在化合物的吲哚基团的2号位置含有羧酰胺基团。甲基是苯环上取代的首选基团。吲哚功能的苯环的首选取代基包括但不限于氯、氟、溴、碘、CF3、甲氧基、CN和NO2。
• Part II: New candidates of pyrazole-benzimidazole conjugates as checkpoint kinase 2 (Chk2) inhibitors
  作者：Shadia A. Galal、Sarah H.M. Khairat、Hamed I. Ali、Samia A. Shouman、Yasmin M. Attia、Mamdouh M. Ali、Abeer E. Mahmoud、Abeer H. Abdel-Halim、Amal A. Fyiad、Ashraf Tabll、Reem El-Shenawy、Yasmine S. El Abd、Raghda Ramdan、Hoda I. El Diwani

  DOI：10.1016/j.ejmech.2017.12.023

  日期：2018.1

  The development of checkpoint kinase 2 (Chk2) inhibitors for the treatment of cancer has been an ongoing and attractive objective in drug discovery. In this study, twenty-one feasible pyrazole-benzimidazole conjugates were synthesized to study their effect against Chk2 activity using Checkpoint Kinase Assay. The antitumor activity of these compounds was investigated using SRB assay. A potentiation

  用于治疗癌症的检查点激酶2（Chk2）抑制剂的开发一直是药物发现中一个正在进行且有吸引力的目标。在这项研究中，使用Checkpoint激酶分析法合成了二十一种可行的吡唑-苯并咪唑共轭物，以研究其对Chk2活性的影响。这些化合物的抗肿瘤活性使用SRB分析法进行了研究。还使用遗传毒性抗癌药顺铂和阿霉素对乳腺癌（ER +）细胞系（MCF-7）的合成Chk2抑制剂的增强作用进行了研究。在由N-甲基亚硝基脲诱导的荷瘤动物中评估了Chd2的体内Chk2和8d作为单药的抗肿瘤活性，并与阿霉素联用。的效果还使用流式细胞术分析在MCF-7细胞的细胞周期阶段研究了8d单独或与阿霉素联合使用的情况。结果显示它们作为IC 50的Chk2抑制剂的效力范围为9.95至65.07 nM。通常，所研究的大多数化合物的作用都可增强顺铂或阿霉素的作用。该体内结果表明，该组合8D和多柔比星抑制关卡激酶的活性超过任一阿霉素或8D
• Chemical Behavior of Coenzyme PQQ toward Aminoguanidine: Redox Reaction and Adduct Formation
  作者：Minae Mure、Kazumi Nii、Shinobu Itoh、Yoshiki Ohshiro

  DOI：10.1246/bcsj.63.417

  日期：1990.2

  The reaction of coenzyme PQQ with aminoguanidine, which is known as an inhibitor of quinoprotein amine oxidases, was investigated in vitro. The redox reaction predominantly proceeded at pH 10.0 to give PQQH2 (quinol), whereas deactivation of PQQ occurred at pH 6.7 to give the triazine adduct. In the case of semicarbazide or acetohydrazide as the substrate, azo adduct formation was mainly observed even at pH 10.0. Importance of the C-5 carbinolamine-type intermediate a is discussed.

  在体外研究了辅酶 PQQ 与氨基胍（醌蛋白胺氧化酶抑制剂）的反应。氧化还原反应主要在 pH 10.0 下进行，生成 PQQH2（对苯二酚），而 PQQ 的失活在 pH 6.7 下发生，生成三嗪加合物。在氨基脲或乙酰肼作为底物的情况下，即使在pH 10.0下也主要观察到偶氮加合物的形成。讨论了 C-5 甲醇胺型中间体 a 的重要性。
• Zeifman,Yu.V. et al., Journal of general chemistry of the USSR, 1967, vol. 37, p. 2355 - 2363
  作者：Zeifman,Yu.V. et al.

  DOI：——

  日期：——