1-Amino-3-dibenzylaminopropane | 107142-94-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-Amino-3-dibenzylaminopropane
• 英文别名: N,N-dibenzylaminopropane-1,3-diamine；N1,N1-dibenzylpropane-1,3-diamine；(3-aminopropyl)dibenzylamine；N,N-bis(phenylmethyl)-1,3-propanediamine；N',N'-dibenzylpropane-1,3-diamine
• CAS: 107142-94-9
• 化学式: C₁₇H₂₂N₂
• mdl: MFCD12569920
• 分子量: 254.375
• InChiKey: KXBUDXGDASOGBX-UHFFFAOYSA-N

物化性质

• 沸点：
  367.7±22.0 °C(Predicted)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.294
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Amino-3-dibenzylaminopropane 在 lithium aluminium tetrahydride 、 三乙胺 、 N,N'-二异丙基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 28.0h， 生成 N-[3-(dibenzylamino)propyl]-N-[4-(2-prop-2-enylpiperidin-1-yl)butyl]dec-9-enamide
  参考文献：
  名称：

  Efficient Syntheses of Oncinotine and Neooncinotine

  摘要：

  We have synthesized two natural alkaloids, oncinotine (1) and neooncinotine (2), by means of efficient ring-closing metathesis (RCM) reactions. The required dienes for RCM were assembled from three basic components: 2-allylpiperidine (5), 9-decenoic acid (6), and diamines 7. We developed two different methods to achieve the linkage: the Michael addition of acrylamide and two amidations of succinic anhydride. The Grubbs catalyst was used to form the 17- and 18-membered lactams in 50% and 68% yields, respectively.

  DOI：

  10.1021/jo049526i
• 作为产物：
  描述：

  2-(3-(dibenzylamino)propyl)isoindoline-1,3-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.5h， 以54%的产率得到1-Amino-3-dibenzylaminopropane
  参考文献：
  名称：

  Efficient Syntheses of Oncinotine and Neooncinotine

  摘要：

  We have synthesized two natural alkaloids, oncinotine (1) and neooncinotine (2), by means of efficient ring-closing metathesis (RCM) reactions. The required dienes for RCM were assembled from three basic components: 2-allylpiperidine (5), 9-decenoic acid (6), and diamines 7. We developed two different methods to achieve the linkage: the Michael addition of acrylamide and two amidations of succinic anhydride. The Grubbs catalyst was used to form the 17- and 18-membered lactams in 50% and 68% yields, respectively.

  DOI：

  10.1021/jo049526i

文献信息

• [EN] PYRROLOPYRIMIDINES<br/>[FR] PYRROLOPYRIMIDINES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009016132A1

  公开（公告）日：2009-02-05

  The present invention relates to compounds or pharmaceutically-acceptable salts thereof, processes for preparing them, pharmaceutical compositions containing them and their use in therapy. The invention particularly relates to compounds that are polo-like kinase (PLKs) inhibitors useful for the treatment of disease states mediated by PLK, especially PLK4, in particular such compounds that are useful in the treatment of pathological processes which involve an aberrant cellular proliferation, such as tumour growth, rheumatoid arthritis, restenosis and atherosclerosis.

  本发明涉及化合物或其药用盐，制备它们的方法，含有它们的药物组合物以及它们在治疗中的用途。该发明特别涉及一类极化样激酶（PLKs）抑制剂化合物，用于治疗由PLK介导的疾病状态，特别是PLK4，特别是在治疗涉及异常细胞增殖的病理过程中有用的化合物，如肿瘤生长、类风湿性关节炎、再狭窄和动脉粥样硬化。
• Fibrin-stabilizing factor inhibitors. 12. 5-Dibenzylaminopentylamine and related compounds, a new type of FSF [fibrin-stabilizing factor] inhibitors
  作者：Kurt Juergen Hoffmann、Pal Stenberg、Christine Ljunggren、Uno Svensson、J. Lars G. Nilsson、Olle Eriksson、Ann Hartkoorn、Ragnar Lunden

  DOI：10.1021/jm00237a014

  日期：1975.3

  A series of omegadibenzylaminoalkylamines and related compounds have been prepared and tested as inhibitors of fibrin cross-linking. This structural type was chosen in an attempt to develop noncompetitive inhibitors of fibrinoligase. By the combination of the dibenzylamino moiety at one end and the primary amino group at the other end of a polymethylene chain, the same compound could function both

  已经制备了一系列的ω-二苄基氨基烷基胺和相关化合物，并作为纤维蛋白交联抑制剂进行了测试。选择这种结构类型是为了尝试开发非竞争性纤溶酶抑制剂。通过在多亚甲基链的一端上的二苄基氨基部分和另一端上的伯氨基基团的组合，相同的化合物既可以用作假供体底物，又可以用作非竞争性烷基化抑制剂。其中某些化合物（尤其是74-79）属于上述活性最高的纤维蛋白连接酶抑制剂。但是，数据表明这些化合物可能仅起假供体抑制剂的作用。
• Compounds for treating impaired fundic relaxation
  申请人：——

  公开号：US20040019051A1

  公开（公告）日：2004-01-29

  The present invention concerns compounds of formula (I) a stereochemically isomeric form thereof, an N-oxide form thereof or a pharma-ceutically acceptable acid addition salt thereof, wherein —a 1 ═a 2 —a 3 ═a 4 — is a bivalent radical wherein one or two of a 1 to a 4 are nitrogen and the remaining a 1 to a 4 are —CH═; —Z 1 —Z 2 — is a bivalent radical; —A— is a bivalent radical of formula —N(R 6 )—Alk 2 — or a 5, 6 or 7-membered saturated heterocycle containing one or two nitrogen atoms; R 1 , R 2 and R 3 are each independently selected from hydrogen, C 1-6 alkyl, hydroxy, halo and the like; Alk 1 and Alk 2 are optionally substituted C 1-6 alkanediyl; R 5 is a radical of formula (d-1), (d-2), (d-3), (d-4), (d-5) wherein n is 1 or 2; p 1 is 0, and p 2 is 1 or 2; or p 1 is 1 or 2, and p 2 is 0; X is oxygen, sulfur or ═NR 9 ; Y 2 is oxygen or sulfur; R 7 is hydrogen, C 1-6 alkyl, C 3-6 cycloalkyl, phenyl or phenylmethyl; R 8 is C 1-6 alkyl, C 3-6 cycloalkyl phenyl or phenylmethyl; R 9 is cyano, C 1-6 alkyl, C 3-6 cyclo-alkyl, C 1-6 alkyloxycarbonyl or aminocarbonyl; R 10 is hydrogen or C 1-6 alkyl; and Q is a bivalent radical. Processes for preparing said products, formulations comprising said products and their use as a medicine are disclosed, in particular for treating conditions which are related to disturbed fundic accomodation. 1

  本发明涉及式（I）的化合物，其立体化学异构体形式，N-氧化物形式或药学上可接受的酸加合物盐形式，其中-a1═a2-a3═a4-是一个双价基团，其中a1到a4中的一个或两个是氮，其余的a1到a4是-CH═；-Z1—Z2-是一个双价基团；-A-是公式-N（R6）-Alk2-或含有一个或两个氮原子的5、6或7元饱和杂环的双价基团；R1、R2和R3各自独立地选自氢、C1-6烷基、羟基、卤素等；Alk1和Alk2是可选取代的C1-6烷二基；R5是公式（d-1）、（d-2）、（d-3）、（d-4）、（d-5）的基团，其中n为1或2；p1为0，p2为1或2；或p1为1或2，p2为0；X为氧、硫或═NR9；Y2为氧或硫；R7为氢、C1-6烷基、C3-6环烷基、苯基或苯甲基；R8为C1-6烷基、C3-6环烷基、苯基或苯甲基；R9为氰基、C1-6烷基、C3-6环烷基、C1-6烷氧羰基或氨基羰基；R10为氢或C1-6烷基；Q为双价基团。公开了制备所述产品的方法，包含所述产品的配方以及其用作药物的用途，特别是用于治疗与干扰胃底容积有关的疾病。
• Compounds for treating fundic disaccomodation
  申请人：Emelen Van Kristol

  公开号：US20060142318A1

  公开（公告）日：2006-06-29

  The present invention concerns compounds of formula (I) a stereochemically isomeric form thereof, an N-oxide form thereof or a pharmaceutically acceptable acid addition salt thereof, wherein -a 1 =a 2 -a 3 =a 4 - is a bivalent radical wherein one or two of a 1 to a 4 are nitrogen and the remaining a 1 to a 4 are —CH═; -Z 1 -Z 2 - is a bivalent radical; -A- is a bivalent radical of formula —N(R 6 )-Alk 2 - or a 5, 6 or 7-membered saturated heterocycle containing one or two nitrogen atoms; R 1 , R 2 and R 3 are each independently selected from hydrogen, C 1-6 alkyl, hydroxy, halo and the like; Alk 1 and Alk 2 are optionally substituted C 1-6 alkanediyl; R 5 is a radical of formula wherein n is 1 or 2; p 1 is 0, and p 2 is 1 or 2; or p 1 is 1 or 2, and p 2 is 0; X is oxygen, sulfur or ═NR 9 ; Y 2 is oxygen or sulfur; R 7 is hydrogen, C 1-6 alkyl, C 3-6 cycloalkyl, phenyl or phenylmethyl; R 8 is C 1-6 alkyl, C 3-6 cycloalkyl phenyl or phenylmethyl; R 9 is cyano, C 1-6 alkyl, C 3-6 cycloalkyl, C 1-6 alkyloxycarbonyl or aminocarbonyl; R 10 is hydrogen or C 1-6 alkyl; and Q is a bivalent radical. Processes for preparing said products, formulations comprising said products and their use as a medicine are disclosed, in particular for treating conditions which are related to disturbed fundic accomodation.

  本发明涉及式（I）化合物，其立体化学异构体，其N-氧化物形式或其药学上可接受的酸加成盐，其中-a1 = a2-a3 = a4-是一个双价基团，其中a1到a4中的一个或两个是氮，其余的a1到a4是-CH═; -Z1-Z2-是一个双价基团; -A-是一个式为-N（R6）-Alk2-的双价基团或含有一个或两个氮原子的5、6或7元饱和杂环; R1，R2和R3分别独立选择自氢，C1-6烷基，羟基，卤素等; Alk1和Alk2是可选取代的C1-6烷二基; R5是一个式为的基团，其中n为1或2; p1为0，p2为1或2; 或p1为1或2，p2为0; X是氧，硫或═NR9; Y2是氧或硫; R7是氢，C1-6烷基，C3-6环烷基，苯基或苯甲基; R8是C1-6烷基，C3-6环烷基苯基或苯甲基; R9是氰基，C1-6烷基，C3-6环烷基，C1-6烷氧羰基或氨基羰基; R10是氢或C1-6烷基; Q是一个双价基团。公开了制备所述产品的过程，包括所述产品的制剂及其作为药物的用途，特别是用于治疗与干扰胃底容纳有关的疾病。
• Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives
  申请人：De Bruyn Frans Leopold Marcel

  公开号：US20050159406A1

  公开（公告）日：2005-07-21

  The present invention concerns compounds of formula (I) a stereochemically isomeric form thereof, an N-oxide form thereof or a pharmaceutically acceptable acid addition salt thereof, wherein -Z 1 -Z 2 - is a bivalent radical; R 1 , R 2 and R 3 are each independently selected from hydrogen, C 1-6 alkyl, hydroxy, halo and the like; or when R 1 and R 2 are on adjacent carbon atoms, R 1 and R 2 taken together may form a bivalent radical of formula; Alk is optionally substituted C 1-6 alkanediyl; the bivalent radical is a substituted piperidinyl, an optionally substituted pyrrolidinyl, homopiperidinyl, piperazinyl or tropyl; R 5 is a radical of formula wherein n is 1 or 2; p 1 is 0, and p 2 is 1 or 2; or p 1 is 1 or 2, and p 2 is 0; X is oxygen, sulfur or ═NR 9 ; Y is oxygen or sulfur; R 7 is hydrogen, C 1-6 alkyl, C 3-6 cycloalkyl, phenyl or phenylmethyl; R 8 is C 1-6 alkyl, C 3-6 cycloalkyl phenyl or phenylmethyl; R 9 is cyano, C 1-6 alkyl, C 3-6 cyclo-alkyl, C 1-6 alkyloxycarbonyl or aminocarbonyl; R 10 is hydrogen or C 1-6 alkyl; and Q is a bivalent radical. Processes for preparing said products, formulations comprising said products and their use as a medicine are disclosed, in particular for treating conditions which are related to impaired fundic relaxation.

  本发明涉及式（I）的化合物，其立体化学异构体，其N-氧化物形式或其药学上可接受的酸加成盐，其中-Z1-Z2-是双价基团；R1，R2和R3分别选自氢，C1-6烷基，羟基，卤素等；或当R1和R2位于相邻的碳原子上时，R1和R2可以共同形成式的双价基团；Alk是可选的取代C1-6烷二基基团；双价基团是取代的哌啶基，可选的取代吡咯烷基，同型哌啶基，哌嗪基或茄芷基；R5是式中的基团，其中n为1或2；p1为0，p2为1或2；或p1为1或2，p2为0；X为氧，硫或═NR9；Y为氧或硫；R7为氢，C1-6烷基，C3-6环烷基，苯基或苯甲基；R8为C1-6烷基，C3-6环烷基，苯基或苯甲基；R9为氰基，C1-6烷基，C3-6环烷基，C1-6烷氧羰基或氨基羰基；R10为氢或C1-6烷基；Q为双价基团。公开了制备该产品的过程，包括该产品的配方以及它们作为药物的用途，特别是用于治疗与胃底松弛受损有关的疾病。