3-甲酰基苯甲酰胺盐酸盐 | 57081-01-3

• 物质功能分类: 化学试剂 - 有机试剂 - 亚氨、脒
• 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: 3-甲酰基苯甲酰胺盐酸盐
• 中文别名: 3-甲酰基盐酸苯甲脒
• 英文名称: 3-formylbenzamidine hydrochloride
• 英文别名: 3-Amidinobenzaldehydhydrochlorid；3-formylbenzenecarboximidamide;hydrochloride
• CAS: 57081-01-3
• 化学式: C₈H₈N₂O*ClH
• mdl: MFCD03426522
• 分子量: 184.625
• InChiKey: KYRDCTJVRFMQGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.61
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.9
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  3-甲酰基苯甲酰胺盐酸盐 、 苯基丙酮 在 磷酸 作用下， 以45%的产率得到1-(3-Amidinophenyl)-2-phenylbut-1-en-3-on * H3PO4
  参考文献：
  名称：

  Richter; Griessmann; Wagner, Pharmazie, 1982, vol. 37, # 8, p. 545 - 549

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl-3-formylbenzimidate hydrochloride 在 氨 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以93%的产率得到3-甲酰基苯甲酰胺盐酸盐
  参考文献：
  名称：

  S-Adenosylmethionine decarboxylase inhibitors: new aryl and heteroaryl analogs of methylglyoxal bis(guanylhydrazone)

  摘要：

  A series of 3-acylbenzamidine (amidino)hydrazones 7a-h, the corresponding (hetero)aromatic congeners 7i-p, and 3,3'-bis-amidino-biaryls 25a-e were synthesized. The hydrazones 7a-p were prepared by conversion of the corresponding acyl nitriles 1a,c-di,n-p to the imido esters 3a,c-d,i and the amidines 5a,c-d,h-i, followed by a reaction with aminoguanidine, or vice versa. Similarly, the biaryl 3,3'-dinitriles 23a-e were converted, via the imino esters 24a-c or the imino thioesters 27d-e, to the diamidines 25a-e. These new products are conformationally constrained analogues of methylglyoxal bis(guanylhydrazone)(MGBG). They are up to 100 times more potent as inhibitors of rat liver S-adenosylmethionine decarboxylase (SAMDC) and generally low potent inhibitors of rat small intestine diamine oxidase (DAO) than MGBG. Some of these SAMDC inhibitors, eg., compounds 7a, 7e, 7i, 25a, and 25d, have shown antiproliferative effects against T24 human bladder carcinoma cells. These products, whose structure-activity relationships are discussed, are of interest as potential anticancer agents and drugs for the treatment of protozoal and Pneumocystis carinii infections.

  DOI：

  10.1021/jm00053a007

文献信息

• Imidazole derivatives, their preparation and their use as
  申请人：Novartis AG

  公开号：US05840911A1

  公开（公告）日：1998-11-24

  Described are compounds of formula I ##STR1## wherein R.sub.1 is hydrogen or hydroxy; R.sub.2, R.sub.2 ' and R.sub.2 " are each independently of the others hydrogen or a substituent other than hydrogen; either R.sub.3 is hydrogen or a substituent other than hydrogen and R.sub.4 is hydrogen or lower alkyl, or R.sub.3 and R.sub.4 together form a divalent radical of the formula --(CH.sub.2).sub.n -- wherein n is 2 or 3; R.sub.5 and R.sub.6 are each independently of the other hydrogen, alkyl or aryl; and either R.sub.7 and R.sub.8 are each hydrogen, or R.sub.7 and R.sub.8 together form a bond; tautomers thereof, provided that at least one tautomerisable group is present; and salts thereof. The compounds inhibit the enzyme S-adenosylmethionine decarboxylase and are suitable, for example, for the treatment of tumours and protozoal infections.

  描述的是式I的化合物##STR1##其中R.sub.1是氢或羟基；R.sub.2、R.sub.2'和R.sub.2"各自独立地是氢或除氢以外的取代基；R.sub.3要么是氢要么是除氢以外的取代基，而R.sub.4是氢或较低的烷基，或者R.sub.3和R.sub.4一起形成式--(CH.sub.2).sub.n--的二价基团，其中n为2或3；R.sub.5和R.sub.6各自独立地是氢、烷基或芳基；而R.sub.7和R.sub.8要么各自是氢，要么R.sub.7和R.sub.8一起形成键；其互变异构体，只要至少存在一个互变异构基团；以及其盐。这些化合物抑制S-腺苷甲硫氨酸脱羧酶酶，并适用于例如治疗肿瘤和原虫感染。
• Bis-amidine indene ketones, compositions containing same and method of
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04371543A1

  公开（公告）日：1983-02-01

  Bis-amidine indene ketones are provided having the structure ##STR1## wherein R is hydrogen, lower alkyl or aryl; and R.sup.1 is hydrogen, lower alkyl, halogen, carboxy, trifluoromethyl, lower alkoxy, hydroxy or acyl, and acid-addition salts thereof. In addition, pharmaceutical compositions containing the above compounds and a method of using same to treat inflammatory conditions in mammalian species are also provided.

  提供了具有以下结构的双胍基吲哚酮化合物：##STR1## 其中R为氢、低碳基或芳基；R.sup.1为氢、低碳基、卤素、羧基、三氟甲基、低烷氧基、羟基或酰基，以及它们的酸盐。此外，还提供了包含上述化合物的药物组合物和使用它们来治疗哺乳动物类炎症状况的方法。
• Arylhydrazones useful as SAMDC inhibitors
  申请人：Ciba-Geigy Corporation

  公开号：US04971986A1

  公开（公告）日：1990-11-20

  Compounds of formula I ##STR1## wherein A, X.sub.1, X.sub.2, X.sub.3, X.sub.4, Y, Z and R.sub.1 to R.sub.6 have the meanings given in the description, have valuable pharmaceutical properties and are effective especially against tumors. They are prepared in a manner known per se.

  化合物的化学式为I ##STR1## 其中A，X.sub.1，X.sub.2，X.sub.3，X.sub.4，Y，Z和R.sub.1到R.sub.6具有所述描述中给出的含义，具有有价值的药物特性，特别有效对抗肿瘤。它们的制备方法已经是众所周知的。
• Arylhydrazones and pharmaceutical compositions thereof
  申请人：Ciba-Geigy Corporation

  公开号：US05238941A1

  公开（公告）日：1993-08-24

  Compounds of formula I ##STR1## wherein A, X.sub.1, X.sub.2, X.sub.3, X.sub.4, Y, Z and R.sub.1 to R.sub.6 have the meanings given in the description, have valuable pharmaceutical properties and are effective especially against tumours. They are prepared in a manner known per se.

  式子为I的化合物，其中A，X1，X2，X3，X4，Y，Z和R1到R6的含义如描述中所述，具有有价值的药物性质，特别是对抗肿瘤有效。它们是按照已知的方法制备的。
• Arylhydrazones and pharmaceutical compositions containing the same
  申请人：Ciba-Geigy Corporation

  公开号：US05118709A1

  公开（公告）日：1992-06-02

  Compounds of formula I ##STR1## wherein A, X.sub.1, X.sub.2, X.sub.3, X.sub.4, Y, Z and R.sub.1 to R.sub.6 have the meanings given in the description, have valuable pharmaceutical properties and are effective especially against tumours. They are prepared in a manner known per se.

  化合物I的公式为##STR1## 其中A，X.sub.1，X.sub.2，X.sub.3，X.sub.4，Y，Z和R.sub.1至R.sub.6的含义如描述中所述，具有有价值的药物特性，特别对抗肿瘤有效。它们以已知的方式制备。