2-(乙基氨基甲酰基)苯甲酸 | 4166-51-2

• 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: 2-(乙基氨基甲酰基)苯甲酸
• 英文名称: 2-(ethylcarbamoyl)benzoic acid
• 英文别名: N-Ethyl-phthalsaeureamid；N-ethyl-phthalamic acid；N-Aethyl-phthalamidsaeure；ethyl benzamidate；o-carboxybenzoylethylamide
• CAS: 4166-51-2
• 化学式: C₁₀H₁₁NO₃
• mdl: MFCD03206816
• 分子量: 193.202
• InChiKey: UKVAJXRECGGFJZ-UHFFFAOYSA-N

物化性质

• 熔点：
  136 °C
• 沸点：
  411.1±28.0 °C(Predicted)
• 密度：
  1.216±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  6-氨基青霉烷酸 、 2-(乙基氨基甲酰基)苯甲酸 在 氯甲酸乙酯 、 三乙胺 作用下， 生成 6-<2-Ethylcarbamoyl-benzoylamino>-penicillansaeure
  参考文献：
  名称：

  6-氨基青霉酸的衍生物。三．与 N-取代邻苯二甲酸的反应。

  摘要：

  DOI：

  10.1021/jm01240a015
• 作为产物：
  描述：

  2-乙基-1H-异吲哚-1,3(2H)-二酮 在 sodium hydroxide 作用下， 生成 2-(乙基氨基甲酰基)苯甲酸
  参考文献：
  名称：

  THE ELECTROLYTIC REDUCTION OF PHTHALIMIDES. PART I

  摘要：

  DOI：

  10.1246/bcsj.5.184

文献信息

• [EN] SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS<br/>[FR] PYRAZOLOAZÉPIN-4-ONES SUBSTITUÉES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PHOSPHODIESTÉRASE
  申请人：LEO PHARMA AS

  公开号：WO2018108230A1

  公开（公告）日：2018-06-21

  The present invention relates to novel substituted pyrazoloazepin-4-ones with phosphodiesterase inhibitory activity, as well as to their use as therapeutic agents in the treatment of inflammatory diseases and conditions.

  本发明涉及具有磷酸二酯酶抑制活性的新型取代吡唑啉-4-酮化合物，以及它们作为治疗炎症性疾病和症状的治疗剂的用途。
• [EN] GP120 -BINDING BENZENE COMPOUNDS AND SACCHARIDE COMPOUNDS<br/>[FR] COMPOSÉS DE BENZÈNES ET DE SACCHARIDES SE LIANT À GP120
  申请人：UNIV LEUVEN KATH

  公开号：WO2011085454A1

  公开（公告）日：2011-07-21

  The present invention provides for novel benzene compounds and saccharide compounds and for the use of said compounds for binding, titration (quantification), removing, purifying or separating the glycoprotein gp120, gp120 comprising viruses or cells infected with gp120 comprising viruses. The invention also provides for a method for the detection, binding, titration (quantification), removal, purification or separation of (or directing therapeutic or other agents to) gp120, gp120 comprising viruses or cells infected with gp120 comprising viruses. The invention further provides for the use of the compounds and for methods using the compounds for directing anti -viral drugs or other agents to gp120 comprising viruses or to gp120 comprising virus - infected cells. The present invention also provides processes for the preparation of said novel compounds.

  本发明提供了新型苯化合物和糖化合物，并用于结合、滴定（定量）、去除、纯化或分离含有糖蛋白gp120的化合物的用途，该gp120包括病毒或感染有包含gp120病毒的细胞。本发明还提供了一种用于检测、结合、滴定（定量）、去除、纯化或分离（或将治疗或其他药物引导至）gp120的方法，该gp120包括病毒或感染有包含gp120病毒的细胞。本发明进一步提供了利用这些化合物的用途，以及用于将抗病毒药物或其他药物引导至含有gp120的病毒或含有gp120病毒感染细胞的方法。本发明还提供了用于制备这些新型化合物的工艺。
• DERIVATIVES OF ETHYLENE METHANEDISULFONATE AS CANCER CHEMOTHERAPEUTIC AGENTS
  申请人：Cronyn Marshall W.

  公开号：US20090176805A1

  公开（公告）日：2009-07-09

  The present application discloses derivatives of ethylene methanedisulfonate as cancer chemotherapeutic agents and methods of synthesizing such derivatives. The derivatives include modifications of ethylene methanedisulfonate by replacing one or both of the chemically most reactive hydrogens of the cyclic sulfonate ester structure. The derivatives of ethylene methanedisulfonate are more active than the parent ester (i.e., ethylene methanedisulfonate) as anticancer agents against a variety of cancers.

  本申请公开了乙烯基甲烷二磺酸酯的衍生物作为癌症化疗药物及其合成方法。这些衍生物通过替换环状磺酸酯结构中化学反应最活泼的一个或两个氢原子来修饰乙烯基甲烷二磺酸酯。乙烯基甲烷二磺酸酯的衍生物对多种癌症具有比母体酯（即乙烯基甲烷二磺酸酯）更高的抗癌活性。
• Esters comprising a secondary carbamoyl function and their use as odorant alcohol precursors
  申请人：——

  公开号：US20020144360A1

  公开（公告）日：2002-10-10

  The compounds of the formula 1 in which the dotted line indicates the location of a single or double bond; R 1 represents a radical derived from an odoriferous alcohol of the formula R 1 OH; R 2 represents a hydrogen atom, a linear or branched, saturated or unsaturated C 1 -C 30 hydrocarbon radical, or an aliphatic or aromatic cyclic compound having 5 or 6 carbon atoms, this radical R 2 possibly comprising heteroatoms of oxygen, sulphur or nitrogen; the symbols R 3 , R 4 and R 4 ′, considered independently, represent a hydrogen atom, a linear or branched, saturated or unsaturated, if necessary substituted, C 1 to C 20 hydrocarbon radical possibly comprising one or more heteroatoms, or, when considered together with the carbon atoms to which they are bonded, can form aromatic or aliphatic monocyclic, bicyclic or tricyclic compounds, the radicals R 3 , R 4 and R 4 ′ possibly comprising functional groups of the ester and carbamoyl type so as to liberate several molecules of odoriferous alcohol R 1 OH per single molecule of precursor, are new compounds capable of liberating an odoriferous alcohol of the formula R 1 OH upon hydrolysis of the ester bond.

  化学式1所表示的化合物中，虚线表示单键或双键的位置；R1代表从具有化学式R1OH的芳香醇中衍生的基团；R2代表氢原子，线性或支链的饱和或不饱和的C1-C30烃基，或具有5或6个碳原子的脂环或芳环化合物，该基团R2可能包含氧、硫或氮等杂原子；符号R3、R4和R4'分别独立地表示氢原子，线性或支链的饱和或不饱和的，必要时取代的C1到C20烃基，可能包含一个或多个杂原子，或者与它们结合的碳原子一起形成芳香或脂环的单环、双环或三环化合物，基团R3、R4和R4'可能包含酯和氨基甲酸酯类型的官能团，以便每个前体分子释放数分子芳香醇R1OH，这些化合物是能够在酯键水解时释放化学式R1OH的芳香醇的新化合物。
• Carbacyclin analogues
  申请人：THE UPJOHN COMPANY

  公开号：EP0159784A1

  公开（公告）日：1985-10-30

  A compound of the formula and intermediates useful in preparing same.

  一种化合物的公式及其制备过程中有用的中间体。