5,22-Dimethyl-8,19-diazoniapentacyclo[13.9.0.02,12.03,8.019,24]tetracosa-1(15),2(12),3(8),4,6,13,19(24),20,22-nonaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 5,22-Dimethyl-8,19-diazoniapentacyclo[13.9.0.02,12.03,8.019,24]tetracosa-1(15),2(12),3(8),4,6,13,19(24),20,22-nonaene
• 英文别名: 5,22-dimethyl-8,19-diazoniapentacyclo[13.9.0.02,12.03,8.019,24]tetracosa-1(15),2(12),3(8),4,6,13,19(24),20,22-nonaene
• 化学式: C24H26N2+2
• 分子量: 342.5
• InChiKey: OCBWSVBNRFTTHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  7.8
• 氢给体数：
  0
• 氢受体数：
  0

文献信息

• [EN] HELQUAT DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS MEDICAMENTS<br/>[FR] DÉRIVÉS HELQUAT, LEUR PRÉPARATION, ET LEUR UTILISATION COMME MÉDICAMENTS
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CR V V I

  公开号：WO2014111069A1

  公开（公告）日：2014-07-24

  The invention provides helquat derivatives of general formula I, wherein substituents R1 and R2 are independently selected from a group comprising H and C1 to C3 alkyl; up to three of S1,2, S1',2', S3,4 and S3',4' are present, each of S1,2, S1',2', S3,4 and S3',4' independently represents a linker consisting of a bivalent hydrocarbon chain having 3-6 carbon atoms; one or two atoms selected from the carbon atoms with the descriptor 2, 4, 2', and 4' are substituted with a substituent R3 of general formula (II) or general formula (III) wherein R4 is substituted or unsubstituted aryl; T1 and T2 independently represent a bivalent hydrocarbon chain having 2-5 carbon atoms; and anions (X1)- and (X2)- independently represent anions of pharmaceutically acceptable salts. The helquat derivatives are useful as medicaments in the treatment of diseases related to increased cellular proliferation, such as oncologic diseases. ˙

  该发明提供了一般式I的赫尔夸特衍生物，其中取代基R1和R2分别选自包括H和C1至C3烷基的一组基团；S1,2、S1',2'、S3,4和S3',4'中的最多三个存在，其中每个S1,2、S1',2'、S3,4和S3',4'分别表示由具有3-6个碳原子的双价碳氢链组成的连接物；所述具有描述符2、4、2'和4'的碳原子中的一个或两个被取代为一般式(II)或一般式(III)的取代基R3，其中R4是取代或未取代的芳基；T1和T2分别表示具有2-5个碳原子的双价碳氢链；以及阴离子(X1)-和(X2)-分别表示药用可接受盐的阴离子。这些赫尔夸特衍生物在治疗与细胞增殖增加相关的疾病，如肿瘤疾病中作为药物是有用的。
• HELQUAT DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS MEDICAMENTS
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMI VED CR, V.V.I.

  公开号：US20150344477A1

  公开（公告）日：2015-12-03

  The invention provides helquat derivatives of general formula I, wherein substituents R 1 and R 2 are independently selected from a group comprising H and C 1 to C 3 alkyl; up to three of S 1,2 , S 1′,2′ , S 3,4 and S 3′, 4′ are present, each of S 1,2 , S 1′,2′ , S 3,4 and S 3′,4′ independently represents a linker consisting of a bivalent hydrocarbon chain having 3-6 carbon atoms; one or two atoms selected from the carbon atoms with the descriptor 2, 4, 2′, and 4′ are substituted with a substituent R 3 of general formula II or general formula III wherein R 4 is substituted or unsubstituted aryl; T 1 and T 2 independently represent a bivalent hydrocarbon chain having 2-5 carbon atoms; and anions (X 1 ) − and (X 2 ) − independently represent anions of pharmaceutically acceptable salts. The helquat derivatives are useful as medicaments in the treatment of diseases related to increased cellular proliferation, such as oncologic diseases.
• HELQUATS WITH HETEROAROMATIC SUBSTITUENTS, PREPARATION THEREOF, AND USE THEREOF AS G-QUADRUPLEX STABILIZERS
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I.

  公开号：US20170096433A1

  公开（公告）日：2017-04-06

  Helquat derivatives of general formula I, in which substituents R 1 and R 2 are independently selected from a group comprising H and C 1 to C 4 alkyl, up to three of S 1,2 , S 1′,2′ , S 3,4 and S 3′,4′ are present, each of S 1,2 , S 1′,2′ , S 3,4 and S 3′,4′ independently represents a linker consisting of a bivalent hydrocarbon chain having 3-6 carbon atoms, preferably hydrocarbon chain having 4 carbon atoms, and one to four atoms selected from the carbon atoms with the descriptor 2, 4, 2′, and 4′ are substituted with a substituent R 3 of general formula II, wherein R 4 is substituted or unsubstituted heteroaryl, T 1 and T 2 are independent linkers that bridge atoms N 5 with C 8 and N 5′ with C 8′ , wherein T 1 and T 2 independently represent a bivalent hydrocarbon chain having 2-5 carbon atoms, preferably 2 or 3 carbon atoms; and anions (X 1 ) − and (X 2 ) − independently represent anions of pharmaceutically acceptable salts.
• US9340543B2
  申请人：——

  公开号：US9340543B2

  公开（公告）日：2016-05-17
• US9932339B2
  申请人：——

  公开号：US9932339B2

  公开（公告）日：2018-04-03