tetradec-13-yn-1-amine | 14502-44-4

• 分子结构分类: 有机化合物 - 乙炔化物
• 英文名称: tetradec-13-yn-1-amine
• CAS: 14502-44-4
• 化学式: C₁₄H₂₇N
• 分子量: 209.375
• InChiKey: SVEHCLLFBGKBOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  292.1±13.0 °C(Predicted)
• 密度：
  0.847±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  15
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  tetradec-13-yn-1-amine 、 (3S,4S)-1-(4-((3S,4S)-3,4-bis(((1S,2R)-2-phenylcyclopropyl)carbamoyl)pyrrolidine-1-carbonyl)benzoyl)-4-(((1S,2R)-2-phenylcyclopropyl)carbamoyl)pyrrolidine-3-carboxylic acid 在 2,6-二甲基吡啶 、 N-羟基-7-氮杂苯并三氮唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以73%的产率得到(3S,4S)-1-(4-((3S,4S)-3,4-bis(((1S,2R)-2-phenylcyclopropyl)carbamoyl)pyrrolidine-1-carbonyl)benzoyl)-N³-((1S,2R)-2-phenylcyclopropyl)-N⁴-(tetradec-13-yn-1-yl)pyrrolidine-3,4-dicarboxamide
  参考文献：
  名称：

  Next-Generation Diprovocims with Potent Human and Murine TLR1/TLR2 Agonist Activity That Activate the Innate and Adaptive Immune Response

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c00419
• 作为产物：
  描述：

  12-氨基-1-十二烷醇 在 氢溴酸 作用下， 生成 tetradec-13-yn-1-amine
  参考文献：
  名称：

  Dumont,J.-L. et al., Bulletin de la Societe Chimique de France, 1967, p. 588 - 596

  摘要：

  DOI：

文献信息

• Amide derivatives
  申请人：Muto Susumu

  公开号：US20050215645A1

  公开（公告）日：2005-09-29

  A medicament for enhancing an effect of a cancer therapy based on a mode of action of DNA injury, which comprises as an active ingredient a compound represented by the following general formula (I) or a salt thereof: wherein one of R 1 and R 2 represents hydrogen atom and the other represents the formula —X-A wherein A represents hydrogen atom or an acyl group, X represents oxgen atom or NH; one of R 3 and R 4 represents hydrogen atom and the other represents the following formula: wherein Y represents a sulfonyl group or a carbonyl group, R 5 represents a cyclic group, Z represents a single bond or a C 1 to C 4 alkylene group, R 6 represents hydrogen atom or a C 1 to C 6 alkyl group.

  一种用于增强基于DNA损伤作用的癌症治疗效果的药物，其活性成分为以下一般式(I)或其盐表示的化合物：其中R1和R2中的一个代表氢原子，另一个代表式—X-A，其中A代表氢原子或酰基，X代表氧原子或NH；R3和R4中的一个代表氢原子，另一个代表以下式：其中Y代表磺酰基或羰基，R5代表环状基团，Z代表单键或C1到C4烷基烷基，R6代表氢原子或C1到C6烷基基团。
• INFLAMMATORY CYTOKINE RELEASE INHIBITOR
  申请人：MUTO Susumu

  公开号：US20090192122A2

  公开（公告）日：2009-07-30

  A medicament having inhibitory activity against NF-κB activation, which comprises a compound represented by the following general formula (I) or a pharmacologically acceptable salt as an active ingredient: wherein X represents a connecting group, A represents hydrogen atom or acetyl group, E represents an aryl group or a heteroaryl group, and ring X represents an arene or a heteroarene.

  一种具有抑制NF-κB激活活性的药物，其包括以下通式(I)所表示的化合物或其药理学上可接受的盐作为活性成分：其中X代表连接基，A代表氢原子或乙酰基，E代表芳基或杂芳基，环X代表芳烃或杂芳烃。
• Nf-kb activation inhibitors
  申请人：Muto Susumu

  公开号：US20060089395A1

  公开（公告）日：2006-04-27

  A medicament having inhibitory activity against NF-κB activation which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein A represents hydrogen atom or acetyl group, E represents a 2,5-di-substituted or a 3,5-di-substituted phenyl group, or a monocyclic or a fused polycyclic heteroaryl group which may be substituted, provided that the compound wherein said heteroaryl group is circle around (1)} a fused polycyclic heteroaryl group wherein the ring which binds directly to —CONH— group in the formula (I) is a benzene ring, circle around (2)} unsubstituted thiazol-2-yl group, or circle around (3)} unsubstituted benzothiazol-2-yl group is excluded, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —CONH-E wherein E has the same meaning as that defined above.

  一种药物具有抑制NF-κB活化作用，其包括以下通式(I)所表示的化合物或其药学上可接受的盐、水合物和溶剂化物作为活性成分，其中A代表氢原子或乙酰基，E代表2,5-二取代或3,5-二取代苯基或单环或融合的多环杂环芳基，其可以被取代，但在所述杂环芳基是圆圈(1)}在公式(I)中直接结合—CONH—基团的环为苯环的融合多环杂环芳基，圆圈(2)}未取代的噻唑-2-基团，或者圆圈(3)}未取代的苯并噻唑-2-基团时，不包括该化合物，环Z代表一个芳香烃，除了由公式—O-A所表示的基团外，它也可以有一个或多个取代基，其中A具有与上述定义相同的含义，公式—CONH-E所表示的基团E具有与上述定义相同的含义。
• O-substituted hydroxyaryl derivatives
  申请人：Muto Susumu

  公开号：US20060094718A1

  公开（公告）日：2006-05-04

  A medicament having inhibitory activity against NF-κB activation which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in a main chain is 2 to 5 (said connecting group may be substituted), “A” represents an acyl group which may be substituted, (provided that unsubstituted acetyl group and unsubstituted acryloyl group are excluded,) or a C 1 to C 6 alkyl group which may be substituted, or A may bind to connecting group X to form a cyclic structure which may be substituted, “E” represents an aryl group which may be substituted or a heteroaryl group which may be substituted, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

  一种药物具有抑制NF-κB激活活性，其包括以下通式(I)所表示的化合物或其药学上可接受的盐、水合物或溶剂化物作为活性成分，其中X表示主链中原子数为2至5的连接基（该连接基可以被取代），A表示可以被取代的酰基（不包括未取代的乙酰基和未取代的丙烯酰基）或者可以被取代的C1到C6烷基，或者A可以与连接基X结合形成可以被取代的环状结构，E表示可以被取代的芳基或者可以被取代的杂环基，环Z表示可以具有一个或多个取代基的芳基（除了由式—O-A所表示的基团外，A具有与上述定义相同的含义，由式—X-E所表示的基团，X和E具有与上述定义相同的含义）或者可以具有一个或多个取代基的杂环基（除了由式—O-A所表示的基团外，A具有与上述定义相同的含义，由式—X-E所表示的基团，X和E具有与上述定义相同的含义）。
• Inhibitors against the activation of ap-1 and nfat
  申请人：Muto Susumu

  公开号：US20060100257A1

  公开（公告）日：2006-05-11

  A medicament inhibiting the activation of AP-1 which comprises as an active ingredient a substance selected from the group consisting of a compound represented by the following general formula (I) and a pharmacologically acceptable salt thereof, and a hydrate thereof and a solvate thereof: wherein X represents a connecting group whose number of atoms in the main chain is 2 to 5 (said connecting group may be substituted), A represents hydrogen atom or acetyl group, E represents an aryl group which may be substituted or a hetero aryl group which may be substituted, ring Z represents an arene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above, or a heteroarene which may have one or more substituents in addition to the group represented by formula —O-A wherein A has the same meaning as that defined above and the group represented by formula —X-E wherein each of X and E has the same meaning as that defined above.

  一种药物，抑制AP-1的激活，其活性成分为以下通式（I）所表示的化合物或其药学上可接受的盐、水合物或溶剂化物中所选的一种，其中X代表连接基，其主链中的原子数为2至5（该连接基可以被取代），A代表氢原子或乙酰基，E代表芳基或取代的杂芳基，环Z代表芳烃，除了由式—O-A所表示的基团外，可能还有一个或多个取代基，其中A具有上述定义的相同含义，由式—X-E所表示的基团中，X和E的每一个具有上述定义的相同含义，或者是一个杂芳烃，可能还有一个或多个取代基，其中A具有上述定义的相同含义，由式—X-E所表示的基团中，X和E的每一个具有上述定义的相同含义。