3-[(3-{[amino(2-thienyl)methylidene]amino}benzyl)amino]-N-[4-(dimethylamino)phenyl]propanamide hydrochloride | 262613-36-5

• 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: 3-[(3-{[amino(2-thienyl)methylidene]amino}benzyl)amino]-N-[4-(dimethylamino)phenyl]propanamide hydrochloride
• 英文别名: 3-[[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]methylamino]-N-[4-(dimethylamino)phenyl]propanamide;hydrochloride
• CAS: 262613-36-5
• 化学式: C₂₃H₂₇N₅OS*ClH
• 分子量: 458.027
• InChiKey: NKSZYVGLYYAJEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  111
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• Cdc25 photophatase inhibitors
  申请人：——

  公开号：US20040034103A1

  公开（公告）日：2004-02-19

  The invention concerns novel cdc25 phosphatase inhibitors, and in particular cdc25-C, which correspond to the general formula (I) wherein: A represents a carbocyclic aryl radical optionally substituted 1 to 3 times by one or more radicals independently selected among a halogen atom and an alkyl, hydroxy, alkoxy, alkylthio or NR 1 R 2 radical wherein R 1 and R 2 represent a hydrogen atom or an alkyl radical or R 1 and R 2 form together with the nitrogen atom a heterocycle of 4 to 7 members comprising 1 to 2 heteroatoms, the members required to complete the heterocycle being selected independently among the CR 3 R 4 —, —O—, —S and NR 5 -radicals, R 3 and R 4 representing independently each time they are involved a hydrogen atom or an alkyl, hydroxy, alkoxy, amino, alkylamino or dialkylamino radical, and R 5 representing independently each time it is involved a hydrogen atom or an alkyl radical, or A represents a phenyl radical substituted by a phenyl radical optionally substituted 1 to 3 times by one or more radicals selected independently among a halogen atom and an alkyl, hydroxy, alkoxy, alkylthio or NR 1 R 2 radical wherein R 1 and R 2 represent a hydrogen atom or an alkyl radical; B represents a —(CH 2 ) i —(CO)— or —NH—CO—(CH 2 ) n or —(CH 2 ) p and i and n being integers from 0 to 2 and p being an integer from 0 to 1; W represents a hydrogen atom or an alkyl radical; X represents a —(CH 2 ) q — or (CH 2 ) j —CO—(CH 2 ) r —, q being an integer from 1 to 4 and j and r being integers from 0 to 6; Y represents in particular a nitrophenyl, aminophenyl, alkylaminophenyl or dialkylaminophenyl radical or the radical (T). 1

  该发明涉及新型cdc25磷酸酶抑制剂，特别是cdc25-C，其对应于一般式(I)，其中：A代表一个通过卤原子、烷基、羟基、烷氧基、烷基硫基或NR1R2基团中独立选择的一个或多个基团1至3次取代的碳环芳基，其中R1和R2分别表示氢原子或烷基基团，或者R1和R2与氮原子一起形成包括1至2个杂原子的4至7个成员的杂环，用于完成杂环的成员独立选择于CR3R4—、—O—、—S和NR5基团中，其中R3和R4在涉及时分别表示氢原子或烷基、羟基、烷氧基、氨基、烷基氨基或二烷基氨基基团，R5在涉及时表示氢原子或烷基基团，或者A代表一个苯基基团，该苯基基团通过一个或多个基团1至3次独立选择的卤原子和烷基、羟基、烷氧基、烷基硫基或NR1R2基团取代；B代表一个—(CH2)i—(CO)—或—NH—CO—( )n或—( )p的基团，其中i和n为0至2的整数，p为0至1的整数；W代表氢原子或烷基基团；X代表一个—( )q—或( )j—CO—( )r—的基团，其中q为1至4的整数，j和r为0至6的整数；Y特别代表一个硝基苯基、氨基苯基、烷基氨基苯基或二烷基氨基苯基基团或基团(T)。
• New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them
  申请人：Auvin Serge

  公开号：US20050261269A1

  公开（公告）日：2005-11-24

  Novel derivatives of amidines of formula wherein the substituents are defined as in the specification which are useful for inhibiting activity on NO-synthase enzymes producing nitrogen mono oxide and/or trapping the reactive oxygen species (ROS) making them useful for treating various diseases.

  该项发明涉及公式中所定义的取代基的新型氨基甲酸酰胺衍生物，其对产生一氧化氮的NO合酶酶活性具有抑制作用，并且对于捕获反应性氧化物种（ROS）也具有作用，因此对于治疗各种疾病是有用的。
• Inhibitors of Cdc25 phosphatases
  申请人：Prevost Gregoire

  公开号：US20060154933A1

  公开（公告）日：2006-07-13

  A method of inhibiting cdc25 phosphatases in warm-blooded animals comprising administering to warm-blooded animals in need thereof an effective amount of a compound of the formula wherein the substituents are defined as in the specification.

  抑制温血动物cdc25磷酸酯酶的一种方法，包括向需要该方法的温血动物施用有效量的以下化合物：其中取代基的定义如规范中所述。
• Inhibitors of cdc25 phosphatases
  申请人：Prevost Gregoire

  公开号：US20060235027A1

  公开（公告）日：2006-10-19

  A method of inhibiting cdc25 phosphatases in warm-blooded animals comprising administering to warm-blooded animals in need thereof an effective amount of a compound of the formula wherein the substituents are defined as in the specification.

  抑制温血动物中cdc25磷酸酶的方法，包括向需要该方法的温血动物施用一种有效量的化合物，该化合物的公式如下：其中取代基的定义如规范中所述。
• US7196084B2
  申请人：——

  公开号：US7196084B2

  公开（公告）日：2007-03-27