N-环己基-N'-(4-(二甲基氨基)萘基)碳二酰亚胺 | 86332-16-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: N-环己基-N'-(4-(二甲基氨基)萘基)碳二酰亚胺
• 英文名称: N-Cyclohexyl-N'-(4-(dimethylamino) naphthyl)carbodiimide
• CAS: 86332-16-3
• 化学式: C₁₉H₂₃N₃
• 分子量: 293.4
• InChiKey: HAVINNWJVRVGNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  28
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• [EN] POLYMERISATION INITIATOR<br/>[FR] INITIATEUR DE POLYMÉRISATION
  申请人：BASF SE

  公开号：WO2010079102A1

  公开（公告）日：2010-07-15

  The invention relates to novel O-dialkylamino-isoureas and polymerizable compositions comprising these O-dialkylamino-isoureas of compounds of the general formula (I). The invention further relates to the use of O-dialkylamino-isoureas as polymerization initiators, especially to prepare coatings or for controlled degradation of polyolefins.

  该发明涉及新颖的O-二烷基氨基异脲及包括这些O-二烷基氨基异脲的化合物在内的可聚合组合物，其通式为(I)。该发明还涉及将O-二烷基氨基异脲用作聚合引发剂，特别是用于制备涂层或控制聚烯烃的降解。
• POLYMERISATION INITIATOR
  申请人：Nesvadba Peter

  公开号：US20110288251A1

  公开（公告）日：2011-11-24

  The invention relates to novel O-dialkylamino-isoureas and polymerizable compositions comprising these O-dialkylamino-isoureas of compounds of the general formula (I). The invention further relates to the use of O-dialkylamino-isoureas as polymerization initiators, especially to prepare coatings or for controlled degradation of polyolefins.

  本发明涉及一种新型O-二烷基氨基异脲和包含这些化合物的可聚合组合物，其化合物的一般式为(I)。本发明还涉及将O-二烷基氨基异脲用作聚合引发剂，特别是用于制备涂料或控制聚烯烃的降解。
• O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF
  申请人：Nesvadba Peter

  公开号：US20120108696A1

  公开（公告）日：2012-05-03

  The invention relates to the use of O-imino-iso-urea compounds as source of radicals to polymerizable compositions comprising these O-imino-iso-urea and to new O-imino-iso-urea compounds. The O-lmino-isoureas compounds are compounds of the Formula (I), wherein n is 1, 2, 3 or 4, R 100 and R 101 are independently H, C 1-18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl, C 1 -C 14 heteroaryl, C 7 -C 15 aralkyl, C 2 -C 14 heteroaralkyl, Cyano, or R 100 and R 101 form together with the carbon to which they are attached a mono or polycyclic C 3 -C 18 carbocyclic or C 1 -C 18 heterocyclic ring; R 102 and R 103 are independently C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl, C 6 -C 14 aryl once or more than once substituted by C 1 -C 18 alkyl; C 7 -C 15 aralkyl, (CH 3 ) 3 Si—; or R 102 and R 103 are C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 6 -C 14 aryl, C 7 -C 15 aralkyl or R 102 and R 103 are C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl which are interrupted or substituted by O or by N containing groups selected from C 1 -C 18 alkylamino, bis(C 1 -C 18 alkyl)amino or tris(C 1 -C 18 alkyl)ammonium; R 104 if n is 1 is H, C 1 -C 18 alkyl, C 3 -C 12 cycloalkyl, C 7 -C 14 aralkyl, C 6 -C 14 aryl or acyl selected from the group consisting of the following acyls —C(═O)—H, —C(═O)—C 1 -C 18 alkyl, —C(═O)—C 2 -d 18 alkenyl, —C(═O)—C 6 -C 14 aryl, —C(═O)—C 2 -C 18 alkenyl-C 6 -C 14 aryl, —C(═O)—O—C 1 C 18 alkyl, —C(═O)—O—C 6 -C 14 aryl, —C(═O)—NH—C 1 -C 18 alkyl, —C(═O)—NH—C 6 -C 14 aryl and —C(═O)—N(C 1 C 18 alkyl) 2 ; or R 102 and R 104 if n is 1 form together with the nitrogen atom to which they are attached a 5 to 12 membered ring which may contain additional heteroatoms, R 104 if n is more than 1 is di-, tri-, tetra-C 1 -C 18 alkylidene, diacyls, triacyls or tetraacyls and salts thereof.

  本发明涉及将O-亚胺异脲化合物用作自由基的来源，所述自由基可用于包含这些O-亚胺异脲化合物的可聚合组合物，并涉及新的O-亚胺异脲化合物。O-亚胺异脲化合物是化合物(I)的化合物，其中n为1、2、3或4，R100和R101独立地为H、C1-18烷基、C3-C12环烷基、C6-C14芳基、C1-C14杂芳基、C7-C15芳基烷基、C2-C14杂芳基、氰基，或R100和R101与它们所连接的碳共同形成一个单环或多环的C3-C18碳环烷基或C1-C18杂环烷基；R102和R103独立地为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C6-C14芳基经过一次或多次取代的C1-C18烷基；C7-C15芳基烷基、(CH3)3Si—；或R102和R103为C1-C18烷基、C3-C12环烷基、C6-C14芳基、C7-C15芳基烷基，或者R102和R103为C1-C18烷基、C3-C12环烷基，其中通过O或N含有的C1-C18烷基氨基、双(C1-C18烷基)氨基或三(C1-C18烷基)铵基中断或取代；如果n为1，则R104为H、C1-C18烷基、C3-C12环烷基、C7-C14芳基烷基、C6-C14芳基或从以下酰基中选择的酰基，所述酰基包括以下酰基：—C(═O)—H、—C(═O)—C1-C18烷基、—C(═O)—C2-d18烯基、—C(═O)—C6-C14芳基、—C(═O)—C2-C18烯基-C6-C14芳基、—C(═O)—O—C1C18烷基、—C(═O)—O—C6-C14芳基、—C(═O)—NH—C1-C18烷基、—C(═O)—NH—C6-C14芳基和—C(═O)—N(C1C18烷基)2；或者如果n为1，则R102和R104与它们所连接的氮原子共同形成一个5到12个成员的环，该环可以含有额外的杂原子；如果n大于1，则R104为二、三、四个C1-C18烷基亚甲基，二酰基、三酰基或四酰基及其盐。
• A method for analysing a metabolic pathway
  申请人：Target Discovery, Inc.

  公开号：EP2293056A2

  公开（公告）日：2011-03-09

  A method for analyzing a metabolic pathway, comprising (a) administering to a subject a known ratio of a labeled substrate and an unlabeled substrate, wherein said labeled substrate labeled with a stable isotope and said unlabeled substrate having a natural abundance of said stable isotope; (b) allowing the labeled substrate and the unlabeled substrate to be at least partially metabolized to form a labeled target metabolite and an unlabeled target metabolite; (c) generating mass spectral data from a plurality of samples from said subject at a plurality of time points; and (d) determining a plurality of relative abundances of said labeled target metabolite to said unlabeled target metabolite from the mass spectral data of at least one of said samples and comparing said plurality of relative abundances to said known ratio of said labeled substrate and said unlabeled substrate.

  一种分析代谢途径的方法，包括 (a) 向受试者施用已知比例的标记底物和未标记底物，其中所述标记底物用稳定同位素标记，所述未标记底物具有所述稳定同位素的天然丰度；(b) 使标记底物和未标记底物至少部分代谢形成标记目标代谢物和未标记目标代谢物；(c) 从所述受试者在多个时间点的多个样本中生成质谱数据；以及 (d) 从至少一个所述样本的质谱数据中确定所述标记目标代谢物与所述未标记目标代谢物的多个相对丰度，并将所述多个相对丰度与所述标记底物和所述未标记底物的已知比率进行比较。
• C-terminale Sequenzierung von Aminosäuren
  申请人：BASF SE

  公开号：EP2336783A1

  公开（公告）日：2011-06-22

  Die vorliegende Erfindung leistet einen wertvollen Beitrag zur Sequenzbestimmung des C-Terminus einer Aminosäuresequenz, wofür es bislang keine zuverlässig einsetzbaren Methoden gibt. Das erfindungsgemäße Verfahren ist dadurch gekennzeichnet ist, dass man die freien COOH-Gruppen im Protein mit Marker A kennzeichnet, das markierte Protein in Peptide spaltet, die neu freigewordenen COOH-Gruppen direkt oder indirekt dazu nutzt, das C-terminale Peptidfragment von den anderen Peptidfragmenten zu trennen und zu identifizieren, um dieses im Anschluss in üblicher Weise zu sequenzieren.

  本发明为确定氨基酸序列的 C 端序列做出了宝贵的贡献，迄今为止尚无可靠的方法可用于此方面。本发明方法的特点是：用标记 A 标记蛋白质中的游离 COOH 基团，将标记的蛋白质裂解成肽，直接或间接利用新释放的 COOH 基团将 C 端肽片段与其他肽片段分离和识别，以便随后按常规方法对其进行测序。