[(1S)-3-azaniumyl-1-carboxypropyl]azanium;dichloride

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(1S)-3-azaniumyl-1-carboxypropyl]azanium;dichloride
• 化学式: C4H12Cl2N2O2
• mdl: MFCD00064561
• 分子量: 191.05
• InChiKey: CKAAWCHIBBNLOJ-QTNFYWBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.01
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  89.3
• 氢给体数：
  5
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [(1S)-3-azaniumyl-1-carboxypropyl]azanium;dichloride 、 苯甲酰氯 以87%的产率得到
  参考文献：
  名称：

  PIPER J. R.; ROSE L. M.; JOHNSTON T. P.; GRENAN M. M., J. MED. CHEM., 1979, 22, NO 6, 631-639

  摘要：

  DOI：
• 作为产物：
  描述：

  (S)-3-Cyano-2-[(1R,2R,5R)-2-hydroxy-2,6,6-trimethyl-bicyclo[3.1.1]hept-(3E)-ylideneamino]-propionic acid ethyl ester 生成 [(1S)-3-azaniumyl-1-carboxypropyl]azanium;dichloride
  参考文献：
  名称：

  SOLLADIE-CAVALLO, A.;SIMON, M. C., TETRAHEDRON LETT., 30,(1989) N4, C. 6011-6014

  摘要：

  DOI：

文献信息

• PRODRUGS AND THE USE THEREOF
  申请人：Diedrichs Nicole

  公开号：US20120122820A1

  公开（公告）日：2012-05-17

  The present application relates to prodrug derivatives of 2-amino-6-([2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}thio)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile, processes for their preparation, their use for the treatment and/or prophylaxis of diseases, and their use for the manufacture of medicaments for the treatment and/or prophylaxis of diseases, especially of cardiovascular disorders.

  本申请涉及2-氨基-6-([2-(4-氯苯基)-1,3-噻唑-4-基]甲基}硫)-4-[4-(2-羟乙氧基)苯基]吡啶-3,5-二氰基的前药衍生物，其制备方法，它们用于治疗和/或预防疾病的用途，以及它们用于制造用于治疗和/或预防疾病的药物，特别是心血管疾病。
• [EN] NOVEL COMPOUNDS AND METHODS OF USE TREATING FRUCTOSE-RELATED DISORDERS OR DISEASES<br/>[FR] NOUVEAUX COMPOSÉS ET MÉTHODES D'UTILISATION POUR LE TRAITEMENT DE TROUBLES OU DE MALADIES LIÉS AU FRUCTOSE
  申请人：COLORADO RES PARTNERS LLC

  公开号：WO2020215022A1

  公开（公告）日：2020-10-22

  Disclosed herein are novel compounds that inhibit fructokinase (KHK or ketohexokinase) and the downstream metabolic effects mediated by fructose metabolism. Fructokinase inhibitors specifically block the metabolism of both dietary and endogenous fructose metabolism and have a host of potential metabolic benefits.

  本文披露了一种新型化合物，可以抑制果糖激酶（KHK或酮己糖激酶）以及由果糖代谢介导的下游代谢效应。果糖激酶抑制剂可以特异性地阻断膳食和内源性果糖代谢的代谢，并具有一系列潜在的代谢益处。
• Peptides and medical use thereof
  申请人：——

  公开号：US04997648A1

  公开（公告）日：1991-03-05

  Of therapeutic value in various contexts in which the cyclosporins are used, for example as anti-bacterial agents and particularly as immunosuppressive and anti-inflammatory agents, are acyclic undecapeptides having the formula (I) H--A.sub.1 --A.sub.2 --A.sub.3 --A.sub.4 --A.sub.5 --A.sub.6 --A.sub.7 --A.sub.8 --A.sub.9 --A.sub.10 --A.sub.11 --OH (I) in which A1 is either derived from 2-carboxyazetidine, 2-carboxypyrrolidine or 2-carboxypiperidine, which may optionally be substituted on a ring carbon atom other than that at position 2 by an amino, methylamino, mercapto or hydroxy group and/or by an acyclic aliphatic hydrocarbon group, or is an amino acid residue ##STR1## wherein n is 0, 1 or 2, X represents an amino, methylamino, mercapto or hydroxy group, R represents hydrogen or an acyclic aliphatic hydrocarbon group and R' represents hydrogen or a methyl group; A2 is an amino acid residue ##STR2## wherein R.sub.1 is an acyclic aliphatic hydrocarbon group, for example of 1 to 6 carbon atoms, optionally substituted at the C.sub.1 position of the group R.sub.1 by an amino, methylamino, mercapto or hydroxy group; A.sub.3 is a sarcosine residue; A.sub.4 is an N-methyl-leucine residue; A.sub.5 is a valine residue; A.sub.6 is an N-methyl-leucine residue; A.sub.7 is an alanine residue; A.sub.8 is an alanine residue; Ag is an N-methyl-leucine residue; A.sub.10 is an N-methyl-leucine or sarcosine residue; and A.sub.11 is an N-methylvaline residue; or such an acyclic undecapeptide in which one or more of the terminal amino or methylamino and carboxy groups and any amino, methylamino, mercapto or hydroxy group present in A.sub.1 or A.sub.2 is in derivative form.

  在环孢霉素用于抗菌剂、免疫抑制剂和抗炎剂等多种情境中具有治疗价值的无环十一肽具有公式（I）H--A.sub.1 --A.sub.2 --A.sub.3 --A.sub.4 --A.sub.5 --A.sub.6 --A.sub.7 --A.sub.8 --A.sub.9 --A.sub.10 --A.sub.11 --OH（I），其中A1可以是从2-羧基氮杂环丁烷、2-羧基吡咯烷或2-羧基哌啶衍生而来的，该环上的碳原子可以选择性地被氨基、甲基氨基、巯基或羟基取代，或者被无环脂肪烃基取代，或者是一个氨基酸残基##STR1##其中n为0、1或2，X代表氨基、甲基氨基、巯基或羟基，R代表氢或无环脂肪烃基，R'代表氢或甲基；A2是一个氨基酸残基##STR2##其中R.sub.1是一个无环脂肪烃基，例如1到6个碳原子，该基团的C.sub.1位置可以选择性地被氨基、甲基氨基、巯基或羟基取代；A.sub.3是一种肌氨酸残基；A.sub.4是一种N-甲基亮氨酸残基；A.sub.5是一种缬氨酸残基；A.sub.6是一种N-甲基亮氨酸残基；A.sub.7是一种丙氨酸残基；A.sub.8是一种丙氨酸残基；Ag是一种N-甲基亮氨酸残基；A.sub.10是一种N-甲基亮氨酸或肌氨酸残基；A.sub.11是一种N-甲基缬氨酸残基；或者这样一个无环十一肽，在其中，末端氨基或甲基氨基和羧基以及A.sub.1或A.sub.2中存在的任何氨基、甲基氨基、巯基或羟基均为衍生物形式。
• Cyclosporins
  申请人：——

  公开号：US05079341A1

  公开（公告）日：1992-01-07

  Cyclosporins having anti-bacterial activity useful as immuno suppressive and anti-inflammatory agents are provided, such as undecapeptides of the formula (I) ##STR1## in which A.sub.1 is either derived from 2-carboxyazetidine, 2-carboxypyrrolidine or 2-carboxypiperidine, or is an amino acid residue ##STR2## wherein n is 0, 1 or 2, X represents an amino, methylamino, mercapto or hydroxy group, R represents hydrogen or an acyclic aliphatic hydrocarbon group and R' represents hydrogen or methyl; A.sub.2 is an amino acid residue ##STR3## wherein R.sub.1 is an acyclic aliphatic hydrogen group optionally substituted at the C.sub.1 position of the group R.sub.1 by an amino, methylamino, mercapto or hydroxy group, but with the proviso that when R.sub.1 is a group of less than four carbon atoms then A.sub.1 is a heterocyclic amino acid residue or is an amino acid residue --R'N--CH(CHR(CH.sub.2).sub.n X)--CO-- wherein either (a) R is hydrogen or (b) R is an acyclic aliphatic hydrocarbon group and either n is O and X is an amino, methylamino or mercapto group, or n is 1 or 2 and X is an amino, methylamino, mercapto or hydroxy group; A.sub.3 is a sarcosine residue; A.sub.4 is an N-methyl-leucine residue; A.sub.5 is a valine residue; A.sub.6 is an M-methyl-leucine residue; A.sub.7 is an alanine residue; A.sub.8 is an alanine residue; A.sub.9 is an N-methyl-leucine residue; A.sub.10 is an N-methyl-leucine or sarcosine residue; and A.sub.11 is an N-methylvaline residue.

  本发明提供了具有抗菌活性的环孢霉素，可用作免疫抑制和抗炎剂，例如公式（I）的十一肽：##STR1## 其中A.sub.1从2-羧基氮杂环丙烷，2-羧基吡咯烷或2-羧基哌啶衍生，或者是氨基酸残基##STR2## 其中n为0、1或2，X表示氨基、甲基氨基、巯基或羟基，R表示氢或无环脂肪烃基，R'表示氢或甲基；A.sub.2是氨基酸残基##STR3## 其中R.sub.1是无环脂肪氢基团，可在R.sub.1的C.sub.1位置被氨基、甲基氨基、巯基或羟基取代，但是，当R.sub.1是少于四个碳原子的基团时，则A.sub.1是杂环氨基酸残基或者是氨基酸残基--R'N--CH(CHR(CH.sub.2).sub.n X)--CO--，其中（a）R为氢或（b）R为无环脂肪烃基，n为O且X为氨基、甲基氨基或巯基，或n为1或2且X为氨基、甲基氨基、巯基或羟基；A.sub.3是肌氨酸残基；A.sub.4是N-甲基亮氨酸残基；A.sub.5是缬氨酸残基；A.sub.6是M-甲基亮氨酸残基；A.sub.7是丙氨酸残基；A.sub.8是丙氨酸残基；A.sub.9是N-甲基亮氨酸残基；A.sub.10是N-甲基亮氨酸或肌氨酸残基；A.sub.11是N-甲基缬氨酸残基。
• COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130190289A1

  公开（公告）日：2013-07-25

  A compound is represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the variables of Structural Formula (I) are as described in the specification and the claims. A pharmaceutical composition comprises a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier of excipient. A method of treating a HCV infection in a subject comprises administering to the subject a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof. A method of inhibiting or reducing the activity of HCV polymerase in a subject or in a biological in vitro sample comprises administering to the subject or to the sample a therapeutically effective amount of a compound represented by Structural Formula (I) or a pharmaceutically acceptable salt thereof.

  一种化合物由结构式(I)或其药学上可接受的盐所代表，其中结构式(I)的变量如规范和权利要求所描述。一种药物组合物包括一种由结构式(I)或其药学上可接受的盐所代表的化合物，以及药学上可接受的载体或赋形剂。一种治疗HCV感染的方法包括向受试者施用一种由结构式(I)或其药学上可接受的盐所代表的治疗有效量的化合物。一种抑制或减少受试者或生物体外样本中HCV聚合酶活性的方法包括向受试者或样本中施用一种由结构式(I)或其药学上可接受的盐所代表的治疗有效量的化合物。