7,20-Dimethyl-8,19-diazoniapentacyclo[13.9.0.02,12.03,8.019,24]tetracosa-1(15),2(12),3,5,7,13,19,21,23-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: 7,20-Dimethyl-8,19-diazoniapentacyclo[13.9.0.02,12.03,8.019,24]tetracosa-1(15),2(12),3,5,7,13,19,21,23-nonaene
• 英文别名: 7,20-dimethyl-8,19-diazoniapentacyclo[13.9.0.02,12.03,8.019,24]tetracosa-1(15),2(12),3,5,7,13,19,21,23-nonaene
• 化学式: C24H26N2+2
• 分子量: 342.5
• InChiKey: SMQHEAUYLLDPNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 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] HELQUATS WITH HETEROAROMATIC SUBSTITUENTS, PREPARATION THEREOF, AND USE THEREOF AS G-QUADRUPLEX STABILIZERS<br/>[FR] HELQUATS À SUBSTITUANTS HÉTÉROAROMATIQUES, PRÉPARATION DE CEUX-CI ET UTILISATION DE CEUX-CI COMME STABILISATEURS DE G-QUADRUPLEXES
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I

  公开号：WO2015180701A1

  公开（公告）日：2015-12-03

  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 C4 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, preferably hydrocarbon chain having 4 carbon atoms, more preferably hydrocarbon chain having 4 carbon atoms and two double bonds, and one to four atoms selected from the carbon atoms with the descriptor 2, 4, 2', and 4' are substituted with a substituent R3 of general formula II, wherein R4 is substituted or unsubstituted heteroaryl, T1 and T2 are independent linkers that bridge atoms N5 with C8 and N5´ with C8´, wherein T1 and T2 independently represent a bivalent hydrocarbon chain having 2-5 carbon atoms, preferably 2 or 3 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 and in the treatment, requiring affecting of G-quadruplex, preferably at telomeres or in gene promoters. ˙

  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到C4烷基的一组，S1,2、S1',2'、S3,4和S3',4'中的最多三个存在，S1,2、S1',2'、S3,4和S3',4'中的每一个独立代表由具有3-6个碳原子的二价碳氢链组成的连接物，优选具有4个碳原子的碳氢链，更优选具有4个碳原子和两个双键的碳氢链，以及描述符2、4、2'和4'的碳原子中的1到4个被取代为一般式II的取代基R3，其中R4是取代或未取代的杂芳基，T1和T2是独立的连接物，将N5原子与C8和N5´原子与C8´连接，其中T1和T2分别代表具有2-5个碳原子的二价碳氢链，优选2或3个碳原子；以及阴离子（X1）-和（X2）-分别代表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，如肿瘤性疾病以及需要影响G-四链体的治疗，优选在端粒或基因启动子中，作为药物是有用的。
• [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