Hexahydro-1-azepincarboxamidin-hydrochlorid | 100185-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: Hexahydro-1-azepincarboxamidin-hydrochlorid
• 英文别名: hexahydro-azepine-1-carboxamidine; hydrochloride；Hexahydro-azepin-1-carbamidin; Hydrochlorid；hexahydro-1H-azepine-1-carboximidamide hydrochloride；azepan-1-ium-1-carboximidamide;chloride
• CAS: 100185-61-3
• 化学式: C₇H₁₅N₃*ClH
• 分子量: 177.677
• InChiKey: ICUVTJXLIHWQTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.18
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  53.1
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Hexahydro-1-azepincarboxamidin-hydrochlorid 在 乙醇 、 sodium 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 2-(Hexahydro-1-azepinyl)-5,6-dihydro-4(1H)-pyrimidinon
  参考文献：
  名称：

  �ber N1- und N2-substituierte 2-Amino-5,6-dihydro-4(1H)-pyrimidinone

  摘要：

  DOI：

  10.1007/bf00798460
• 作为产物：
  描述：

  黄莲素 在 乙醇 、 氰胺 作用下， 生成 Hexahydro-1-azepincarboxamidin-hydrochlorid
  参考文献：
  名称：

  DE537302

  摘要：

  公开号：

文献信息

• [EN] ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE<br/>[FR] MODULATEURS DU RÉCEPTEUR ALPHA-7 NICOTINIQUE POUR LE TRAITEMENT DE LA DOULEUR, D'UN TROUBLE PSYCHOTIQUE, D'UN DÉFICIT COGNITIF OU DE LA MALADIE D'ALZHEIMER
  申请人：PROXIMAGEN LTD

  公开号：WO2012055942A1

  公开（公告）日：2012-05-03

  Compounds are disclosed which modulate the α7 nicotinic acetyl choline receptor (nAChR), having the formula (I) wherein the variables are as specified in the description and claims.

  已披露了调节α7尼古丁乙酰胆碱受体（nAChR）的化合物，其化学式为（I），其中变量如描述和声明中所指定。
• [EN] ANTIMICROBIAL COMPOPSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND THEIR USE THEREOF<br/>[FR] COMPOSITION ANTIMICROBIENNE CONTENANT UN BIGUANIDE POLYMERIQUE ET UN COPOLYMERE ET UTILISATION ASSOCIEE
  申请人：ARCH UK BIOCIDES LTD

  公开号：WO2004100663A1

  公开（公告）日：2004-11-25

  The present invention relates to a composition comprising: (i) an antimicrobial agent; and (ii) a non-ionic co-polymer of Formula (1) wherein: [A] is of Formula (9), [B] is of Formula (10), and [X] is of Formula (11), wherein [A] and [B] may be in any order; T is an optionally substituted substituent; L is an optionally substituted linking group; R1, R2 and R3 are each independently H, optionally substituted C1-20-alkyl or optionally substituted C 3-20-cycloalkyl; R4 and R5 are each independently H or C1-4alkyl; q is 15 to 1000; p is 3 to 50; and the molar ratio of [A] to [B] (m:n), is 1:10 to 10:1; provided that R1, R2, R3, T and L do not contain an ionisable group and provided that at least one of R4 and R5 is H.

  本发明涉及一种组合物，包括：(i)一种抗菌剂；和(ii)一种非离子共聚物，其化学式为(1)，其中：[A]的化学式为(9)，[B]的化学式为(10)，[X]的化学式为(11)，其中[A]和[B]可以以任何顺序存在；T是可选的取代基；L是可选的取代连接基；R1、R2和R3分别是H、可选的取代C1-20烷基或可选的取代C3-20环烷基；R4和R5分别是H或C1-4烷基；q为15至1000；p为3至50；[A]与[B]的摩尔比(m:n)为1:10至10:1；但要求R1、R2、R3、T和L不含有离子化基团，并且至少有一个R4和R5是H。
• Composition and use
  申请人：Hodge John David

  公开号：US20050008534A1

  公开（公告）日：2005-01-13

  The present invention relates to a composition comprising: (i) an anti-microbial agent comprising a polymeric biguanide, alone or in combination with at least one other microbiologically active component selected from the group consisting of quaternary ammonium compounds, monoquaternary heterocyclic amine salts, urea derivatives, amino compounds, imidazole derivatives, nitrile compounds, tin compounds or complexes, isothiazolin-3-ones, thiazole derivatives, nitro compounds, iodine compounds, aldehyde release agents, thiones, triazine derivatives, oxazolidine and derivatives thereof, furan and derivatives thereof, carboxylic acids and the salts and esters thereof, phenol and derivatives thereof, sulphone derivatives, imides, thioamides, 2-mercapto-pyridine-N-oxide, azole fungicides, strobilurins, amides, carbamates, pyridine derivatives, compounds with active halogen groups, and organometallic compounds; and (ii) an amphoteric co-polymer of the Formula (1): wherein: [A] is of Formula (9), [B] is of Formula (10), [C] is of Formula (12), [D] is of Formula (13), and X is of Formula (11), wherein [A], [B], [C] and [D] may occur in any order; T is an optionally substituted substituent; L, G and Z each independently is an optionally substituted linking group; R 1 , R 2 and R 3 are each independently H, optionally substituted C 1-20 -alkyl or optionally substituted C 3-20 -cycloalkyl; R 4 and R 5 are each independently H or C 1-4 -alkyl; q is 15 to 1000; p is 3 to 50; J is an optionally substituted hydrocarbyl group; F is an acidic substituent; E is a basic substituent; m is 0 to 350; n is 1 to 75; v is 0 to 100; y is 1 to 100; b is 0, 1 or 2; s is 0 or 1; w is 1 to 4; and provided that at least one of R 4 and R 5 is H.

  本发明涉及一种组合物，包括：（i）一种抗微生物剂，包括聚合物双胍，单独或与从季铵化合物、单季铵杂环胺盐、脲衍生物、氨基化合物、咪唑衍生物、腈化合物、锡化合物或配合物、异噻唑啉-3-酮、噻唑衍生物、硝基化合物、碘化合物、醛释放剂、硫醇、三嗪衍生物、氧氮杂环和其衍生物、呋喃和其衍生物、羧酸及其盐和酯、酚及其衍生物、磺酰基衍生物、酰亚胺、硫酰胺、2-巯基吡啶-N-氧化物、唑类杀菌剂、链霉素、酰胺、氨基甲酸酯、吡啶衍生物、具有活性卤素基团的化合物和有机金属化合物中选择至少一种其他微生物活性成分组合而成；和（ii）式（1）的两性共聚物：其中：[A]为式（9）；[B]为式（10）；[C]为式（12）；[D]为式（13）；且X为式（11），其中[A]，[B]，[C]和[D]可以以任何顺序出现；T为可选的取代基；L，G和Z各自独立地为可选的取代连接基；R1，R2和R3各自独立地为H，可选的取代C1-20烷基或可选的取代C3-20环烷基；R4和R5各自独立地为H或C1-4烷基；q为15至1000；p为3至50；J为可选的取代的烃基；F为酸性取代基；E为碱性取代基；m为0至350；n为1至75；v为0至100；y为1至100；b为0、1或2；s为0或1；w为1至4；并且至少R4和R5中的一个为H。
• [EN] COMPOSITION COMPRISING AN ACIDIC COPOLYMER AND AN ANTIMICROBIAL AGENT AND USE THEREOF<br/>[FR] COMPOSITION CONTENANT UN COPOLYMERE ACIDE ET UN AGENT ANTIMICROBIEN, ET SON UTILISATION
  申请人：ARCH UK BIOCIDES LTD

  公开号：WO2004100664A1

  公开（公告）日：2004-11-25

  A composition comprising: (i) an anti-microbial agent; and (ii) an acidic co-polymer of the Formula (1) wherein: [A] is of Formula (9), [B] is of Formula (10), and [C] is of Formula (12) wherein: [X] is of Formula (11), wherein [A], [B] and [C] may occur in any order; T is an optionally substituted substituent; L and G each independently is an optionally substituted linking group; R1, R2 and R3 are each independently H, optionally substituted C1-20-alkyl or optionally substituted C3-20-cycloalkyl; R4 and R5 are each independently H or C1-4-alkyl; q is 15 to 1000; p is 3 to 50; J is an optionally substituted hydrocarbyl, group; F is an acidic substituent; b is 0, 1, or 2; m is 0 to 350; n is 1 to 75; v is 1 to 100; and w is 1 to 4; provided that at least one of R4 and R5 is H and provided that R1, R2, R3, T, L, J and G do not contain a basic group; and wherein the pka value of the acidic substituent F on the monomer from which [C] is derived is less than 5.5.

  一种组合物，包括：(i)一种抗微生物剂；和(ii)式(1)的酸性共聚物，其中：[A]为式(9)，[B]为式(10)，[C]为式(12)，其中：[X]为式(11)，[A]、[B]和[C]可以以任何顺序出现；T是可选取代基；L和G各自独立地为可选取代连接基团；R1、R2和R3各自独立地为H、可选取代的C1-20烷基或可选取代的C3-20环烷基；R4和R5各自独立地为H或C1-4烷基；q为15到1000；p为3到50；J为可选取代的烃基团；F为酸性取代基；b为0、1或2；m为0到350；n为1到75；v为1到100；w为1到4；至少R4和R5中的一个为H，并且R1、R2、R3、T、L、J和G不含有碱性基团；其中，[C]所衍生的单体中酸性取代基F的pka值小于5.5。
• [EN] ANTIMICROBIAL COMPOSITION CONTAINING A POLYMERIC BIGUADINE AND A COPOLYMER AND USE THEREOF<br/>[FR] COMPOSITION ANTIMICROBIENNE CONTENANT UN BIGUANIDE POLYMERIQUE ET UN COPOLYMERE ET SON APPLICATION
  申请人：ARCH UK BIOCIDES LTD

  公开号：WO2004100666A1

  公开（公告）日：2004-11-25

  The present invention relates to a composition comprising: an anti-microbial agent comprising a polymeric biguanide, alone or in combination with at least one other microbiologically active component selected from the group consisting of quaternary ammonium compounds, monoquaternary heterocyclic amine salts, urea derivatives, amino compounds, imidazole derivatives, nitrile compounds, tin compounds or complexes, isothiazolin-3-ones, thiazole derivatives, nitro compounds, iodine compounds, aldehyde release agents, thiones, triazine derivatives, oxazolidine and derivatives thereof, furan and derivatives thereof, carboxylic acids and the salts and esters thereof, phenol and derivatives thereof, sulphone derivatives, imides, thioamides, 2-mercapto-pyridine-N-oxide, azole fungicides, strobilurins, amides, carbamates, pyridine derivatives, compounds with active halogen groups, and organometallic compounds; and an amphoteric co-polymer of the Formula (1); wherein [A] is of Formula (9), [B] is of Formula (10), [C] is of Formula (12), [D] is of Formula (13), and X is of Formula (11),wherein [A], [B], [C] and [D] may occur in any order; T is an optionally substituted substituent; L, G and Z each independently is an optionally substituted linking group; R1, R2 and R3 are each independently H, optionally substituted Cl-20-alkyl or optionally substituted C3-20-cycloalkyl; R4 and R5 are each independently H or C1-4-alkyl; q is 15 to 1000; p is 3 to 50; J is an optionally substituted hydrocarbyl group; F is an acidic substituent; E is a basic substituent; m is 0 to 350; n is 1 to 75; v is 0 to 100; y is 1 to 100; b is 0, 1 or 2; s is 0 or 1; w is 1 to 4; and provided that at least one of R4 and R5 is H.

  本发明涉及一种组合物，包括：一种抗微生物剂，包括聚大双胍，单独使用或与至少一种从季铵化合物、单季铵杂环胺盐、脲衍生物、氨基化合物、咪唑衍生物、腈化合物、锡化合物或配合物、异噻唑啉-3-酮、噻唑衍生物、硝基化合物、碘化合物、醛释放剂、硫醇、三嗪衍生物、噁唑烷及其衍生物、呋喃及其衍生物、羧酸及其盐和酯、苯酚及其衍生物、磺酰衍生物、亚酰胺、硫代酰胺、2-巯基吡啶-N-氧化物、咪唑类杀菌剂、斑点灵、酰胺、氨基甲酸酯、吡啶衍生物、具有活性卤素基团的化合物和有机金属化合物中选择的至少一种具有微生物活性成分；以及公式（1）的两性共聚物，其中[A]为公式（9），[B]为公式（10），[C]为公式（12），[D]为公式（13），X为公式（11），其中[A]，[B]，[C]和[D]可以以任何顺序出现；T是可选取代基；L，G和Z各自独立地是可选取代的连接基；R1，R2和R3各自独立地是H、可选取代的Cl-20-烷基或可选取代的C3-20-环烷基；R4和R5各自独立地是H或C1-4-烷基；q为15至1000；p为3至50；J为可选取代的烃基；F为酸性取代基；E为碱性取代基；m为0至350；n为1至75；v为0至100；y为1至100；b为0、1或2；s为0或1；w为1至4；并且至少有一个R4和R5为H。