2-Azaniumylethyl(diaminomethylidene)azanium;dichloride

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Azaniumylethyl(diaminomethylidene)azanium;dichloride
• 英文别名: 2-azaniumylethyl(diaminomethylidene)azanium;dichloride
• 化学式: C3H12Cl2N4
• 分子量: 175.06
• InChiKey: KYJBBNCBVZZHOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.94
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  90.4
• 氢给体数：
  5
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-methyl-4-(1-methyl-4-(1-methyl-4-nitro-1H-pyrrole-2-carboxamido)-1H-pyrrole-2-carboxamido)-1H-pyrrole-2-carboxylic acid 、 2-Azaniumylethyl(diaminomethylidene)azanium;dichloride 、 1-羟基苯并三唑一水物 、 碳酸氢钠 在 methanol-dichloromethane 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以to yield 800 mg of 2-[1-methyl-4-[1-methyl-4-[1-methyl-4-nitropyrrole-2-carboxamido]pyrrole-2-carboxamido]pyrrole-2-carboxamido]ethylguanidine hydrochloride, which的产率得到N-(2-{[amino(imino)methyl]amino}ethyl)-1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrole-2-carboxamide hydrochloride
  参考文献：
  名称：

  Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents

  摘要：

  本发明涉及丙烯酰基取代的二氨基链霉素衍生物，以及包含这些衍生物的制药组合物，以及它们在治疗人类和动物中的使用，尤其是作为抗肿瘤剂的方法。

  公开号：

  US06482920B1

文献信息

• Acryloyl substituted distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents
  申请人：Pharmacia & Upjohn S.p.A.

  公开号：US20030023031A1

  公开（公告）日：2003-01-30

  According to the invention, there is provided a method of manufacturing a medicament for use in the treatment of cancer or viral infections which comprises obtaining a cancer treating effective amount of a compound of formula (I), 1 and combining the compound of formula (I) with at least one pharmaceutically acceptable excipient, and wherein the cancer treating effective amount of a compound of formula I is an acryloyl substituted distamycin derivative in which n, R 1 and R 2 , R 3 , B, are defined herein or a pharmaceutically acceptable salt thereof to produce a medicament for use in the treatment of cancer or viral infections.

  根据本发明，提供了一种制造治疗癌症或病毒感染的药物的方法，该方法包括获取公式（I）化合物的治疗癌症有效量，1并将公式（I）化合物与至少一种药用可接受的赋形剂结合，其中公式I化合物的治疗癌症有效量是一种丙烯酰基取代的二氨基链霉素衍生物，其中n，R1和R2，R3，B在此定义，或其药用可接受盐，以制备用于治疗癌症或病毒感染的药物。
• SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS
  申请人：Chaplin Jason Hugh

  公开号：US20100004208A1

  公开（公告）日：2010-01-07

  The present invention relates generally to substituted benzofurans, benzothiophenes, and indoles and their use as tubulin polymerisation inhibitors.

  本发明涉及取代苯并呋喃、苯并噻吩和吲哚，以及它们作为微管聚合抑制剂的用途。
• Benzoheterocyclic distamycin derivatives, process for preparing them, and their use as antitumor agents
  申请人：Pharmacia & Upjohn, S.p.A.

  公开号：US06458768B1

  公开（公告）日：2002-10-01

  Compounds which are benzoheterocyclic distamycin derivatives of formula (I), wherein n is 2, 3 or 4; A is a heteroatom selected from O and S or is a group NR, wherein R is hydrogen or C1-C4 alkyl; B is CH or N; R1 is hydrogen or C1-C4 alkyl; G is selected from the group consisting of (a, b, c, d, e, f, g, h, i, j), and —C≡N; wherein R5, R6, R7, R8, R9, R10, R11 and R12 are, independently from each other, hydrogen or C1-C4 alkyl; T is a group of formula (II) or (III) as defined above, wherein p is 0 or 1; R2 and R3 are, independently from each other, hydrogen, C1-C4 alkyl optionally substituted by one or more fluorine atoms, or C1-C4 alkoxy; R4 is C1-C4 alkyl or C1-C3 haloalkyl; X1 and X2 are halogen atoms or pharmaceutically acceptable salts thereof; provided that at least one of R5, R6 and R7 is alkyl; are useful as antitumor agents.

  式（I）的苯并杂环二聚霉素衍生物化合物，其中n为2、3或4；A为从O和S中选择的杂原子或为NR基团，其中R为氢或C1-C4烷基；B为CH或N；R1为氢或C1-C4烷基；G从（a，b，c，d，e，f，g，h，i，j）和—C≡N的群中选择；其中R5、R6、R7、R8、R9、R10、R11和R12各自独立地是氢或C1-C4烷基；T为如上所定义的式（II）或（III）的基团，其中p为0或1；R2和R3各自独立地是氢、C1-C4烷基，可选地取代一个或多个氟原子，或C1-C4烷氧基；R4为C1-C4烷基或C1-C3卤代烷基；X1和X2为卤素原子或其药学上可接受的盐；前提是R5、R6和R7中至少有一个为烷基；这些化合物作为抗肿瘤剂是有用的。
• Distamycin derivatives, process for preparing them, and their use as
  申请人：Pharmacia & Upjohn S.p.A.

  公开号：US06165980A1

  公开（公告）日：2000-12-26

  A distamycin derivative of formula (I): ##STR1## wherein: n is 2, 3 or 4; R.sub.0 is C.sub.1 -C.sub.4 alkyl or --CH.sub.2 CH.sub.2 --X.sub.2, wherein X.sub.2 is a halogen atom; R.sub.1 and R.sub.2 are selected, each independently, from: hydrogen, C.sub.1 -C.sub.4 alkyl optionally substituted by one or more fluorine atoms, C.sub.1 -C.sub.4 alkoxy, and halogen; X.sub.1 is a halogen atom; B is selected from: ##STR2## wherein R.sub.3, R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8, and R.sub.9 are, each independently, hydrogen or C.sub.1 -C.sub.4 alkyl, and m is 0, 1 or 2; with the proviso that, when R.sub.0 is --CH.sub.2 CH.sub.2 --X.sub.2, B is different from --(CH.sub.2).sub.m --NR.sub.6 R.sub.7 and at least one of R.sub.3, R.sub.4, and R.sub.5 is C.sub.1 -C.sub.4 alkyl; or a pharmaceutically acceptable salt thereof.

  公式（I）的distamycin衍生物：##STR1## 其中：n为2、3或4；R0为C1-C4烷基或--CH2 CH2 --X2，其中X2为卤素原子；R1和R2各自独立地选择自：氢、C1-C4烷基，可选地被一个或多个氟原子取代，C1-C4烷氧基和卤素；X1为卤素原子；B从以下选择：##STR2## 其中R3、R4、R5、R6、R7、R8和R9各自独立地为氢或C1-C4烷基，m为0、1或2；但是，当R0为--CH2 CH2 --X2时，B与--(CH2)m--NR6R7不同，并且R3、R4和R5中至少有一个为C1-C4烷基；或其药学上可接受的盐。
• Distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents
  申请人：Pharmacia & Upjohn S.p.A.

  公开号：US06177408B1

  公开（公告）日：2001-01-23

  A compound which is a distamycin derivative of formula (I), wherein n is 2, 3 or 4; R0is C1-C4 alkyl or C1-C3 haloalkyl; R1 and R2, which may be the same or different, are each hydrogen, C1-C4 alkyl optionally substituted by one or more fluorine atoms, or C1-C4 alkoxy; X is a halogen atom; B is selected from (A, B, C, D, E, F, G, H, I, J and K); wherein R3, R4, R5, R6, R7, R8, and R9, which may be the same or different, are each hydrogen or C1-C4 alkyl, and m is 0, 1, or 2; or a pharmaceutically acceptable salt thereof. Such compounds are useful as antineoplastic and antiviral agents.

  一种化合物，为公式（I）的distamycin衍生物，其中n为2、3或4；R0为C1-C4烷基或C1-C3卤代烷基；R1和R2，可以相同也可以不同，分别为氢、C1-C4烷基（可选地被一个或多个氟原子取代）或C1-C4烷氧基；X为卤素原子；B从（A，B，C，D，E，F，G，H，I，J和K）中选择；其中R3，R4，R5，R6，R7，R8和R9，可以相同也可以不同，分别为氢或C1-C4烷基，m为0、1或2；或其药学上可接受的盐。这些化合物可用作抗肿瘤和抗病毒剂。