tetraallylurea | 37826-38-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: tetraallylurea
• 英文别名: tetraallyl-urea；Tetraallyl-harnstoff；Urea, tetra-2-propenyl-；1,1,3,3-tetrakis(prop-2-enyl)urea
• CAS: 37826-38-3
• 化学式: C₁₃H₂₀N₂O
• 分子量: 220.315
• InChiKey: RDCFZWUYRVLGKT-UHFFFAOYSA-N

物化性质

• 沸点：
  312.7±42.0 °C(Predicted)
• 密度：
  0.936±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  tetraallylurea 、 silver trifluoromethanesulfonate 以 丙酮 为溶剂， 以54%的产率得到[Ag4(tetraallylurea)(triflate)4]n
  参考文献：
  名称：

  Allylureas: Potent Argentophiles with a Marked Propensity to Form One-Dimensional Coordination Polymers

  摘要：

  1,3-Diallylurea and tetraallylurea react with various silver salts to consistently generate one-dimensional coordination polymers in which the allyl arms and urea oxygen atoms are coordinated to silver atoms. Most commonly, ladderlike assemblies are produced.

  DOI：

  10.1021/cg4017678
• 作为产物：
  描述：

  4-氯二噻唑-5-酮 、 二烯丙基胺 以 二氯甲烷 为溶剂， 反应 15.0h， 以41%的产率得到tetraallylurea
  参考文献：
  名称：

  4-氯-5 H -1,2,3-二噻唑-5-酮与烷基胺的反应方便地合成对称的N，N'-二烷基脲

  摘要：

  在室温下，在CH 2 Cl 2中用伯和仲烷基胺（> 2当量）处理4-氯-5 H -1,2,3-二噻唑-5-酮，得到对称的N，N'-二取代脲良品率高。类似地，在相同条件下，在Et 3 N（> 3当量）存在下，与氨基酸盐酸盐的反应生成对称的脲。

  DOI：

  10.1016/s0040-4039(01)01761-0

文献信息

• Phthalazine derivatives for treating inflammatory diseases
  申请人：——

  公开号：US20030013718A1

  公开（公告）日：2003-01-16

  The invention relates to the treatment of an inflammatory disease, especially an inflammatory rheumatoid or rheumatic disease, and/or pain with an inhibitor of the activity of VEGF receptor tyrosine kinase of the formula I, 1 wherein r is 0 to 2, n is 0 to 3 R 1 and R 2 a) are independently in each case a lower alkyl; b) together form a bridge of subformula I*, 2 wherein the bond is achieved via the two terminal C atoms and m is 0 to 4, or c) together form a bridge of subformula I**, 3 wherein one or two of the ring members T 1 , T 2 , T 3 and T 4 are nitrogen, and the others are in each case CH, and the bond is achieved via atoms T 1 and T 4 ; G is —C(═O)—, —CHF—, —CF 2 —, lower alkylene, C 2 -C 6 alkenylene, lower alkylene or C 3 -C 6 alkenylene substituted by acyloxy or hydroxy, —CH 2 —O—, —CH 2 —S—, —CH 2 —NH—, —CH 2 —O—CH 2 —, —CH 2 —S—CH 2 —, —CH 2 —NH—CH 2 —, oxa (—O—), thia (—S—), imino (—NH—), —CH 2 —O—CH 2 —, —CH 2 —S—CH 2 — or —CH 2 —NH—CH 2 —; A, B, D, E and T are independently N or CH subject to the proviso that at least one and not more than three of these radicals are N; Q is lower alkyl, lower alkoxy or halogen; R a and R a ′ are each independently H or lower alkyl; X is imino, oxa, or thia; Y is hydrogen, aryl, heteroaryl, or unsubstituted or substituted cycloalkyl; and Z is mono- or disubstituted amino, halogen, alkyl, substituted alkyl, hydroxy, etherified or esterified hydroxy, nitro, cyano, carboxy, esterified carboxy, alkanoyl, carbamoyl, N-mono- or N,N-disubstituted carbamoyl, amidino, guanidino, mercapto, sulfo, phenylthio, phenyl lower alkylthio, alkylphenylthio, phenylsulfinyl, phenyl-lower alkylsulfinyl, alkylphenylsulfinyl, phenylsulfonyl, phenyl-lower alkylsulfonyl, alkylphenylsulfonyl, or (alternatively or, in a broader aspect of the invention, in addition) selected from the group consisting of ureido, halo-lower alkylthio, halo-lower alkansulfonyl, pyrazolyl, lower-alkyl pyrazolyl and C 2 -C 7 alkenyl; wherein—if more than 1 radical Z (m≧2) is present—the substituents Z are selected independently from each other; and wherein the bonds characterized in subformula I* by a wavy line are either single or double bonds; or an N-oxide of said compound, wherein 1 or more N atoms carry an oxygen atom; or a pharmaceutically acceptable salt thereof; as well as to new phthalazine derivatives; processes for the preparation thereof; the application thereof in a process for the treatment of the human or animal body; the use thereof for the treatment of a disease, especially a disease caused by ocular neovascularisation, such as age-related macula degeneration or diabetic retinopathy, or other diseases that respond to the inhibition of tyrosine kinases, such as a proliferative disease; a method for the treatment of such disease in mammals; and the use of such a compound for the manufacture of a pharmaceutical preparation for the treatment especially of a disease as mentioned above.

  该发明涉及治疗炎症性疾病，特别是炎症性风湿性或风湿性疾病，以及/或疼痛的方法，该方法使用公式I,1中VEGF受体酪氨酸激酶活性抑制剂，其中r为0至2，n为0至3，R1和R2a）各自独立地为较低的烷基；b）共同形成亚式I*，2的桥，其中通过两个末端C原子实现键合，m为0至4；或c）共同形成亚式I**，3的桥，其中环成员T1、T2、T3和T4中的一个或两个是氮，其他各自为CH，通过原子T1和T4实现键合；G为—C(═O)—、—CHF—、—CF2—、较低烷基、C2-C6烯基、被乙酰氧基或羟基取代的较低烷基或C3-C6烯基、—CH2—O—、— —S—、— —NH—、— —O— —、— —S— —、— —NH— —、氧杂环（—O—）、硫杂环（—S—）、亚胺（—NH—）、— —O— —、— —S— —或— —NH— —；A、B、D、E和T各自独立地为N或CH，但至少一个且不超过三个为N；Q为较低烷基、较低烷氧基或卤素；Ra和Ra′各自独立地为H或较低烷基；X为亚胺、氧杂环或硫杂环；Y为氢、芳基、杂环芳基或未取代或取代的环烷基；Z为单取代或双取代的氨基、卤素、烷基、取代烷基、羟基、醚化或酯化的羟基、硝基、氰基、酯化的羧基、烷酰基、氨基甲酰基、N-单取代或N,N-双取代的氨基甲酰基、胍基、胍二氨基基、巯基、磺基、苯硫基、苯较低烷基硫基、烷基苯硫基、苯磺基、苯较低烷基磺基、烷基苯磺基，或（或者，根据该发明的更广泛方面，此外）从尿素基、卤代较低烷硫基、卤代较低烷磺基、吡唑基、较低烷基吡唑基和C2-C7烯基中选择；其中——如果存在多于1个基Z（m≥2），那么取代基Z彼此独立选择；在亚式I*中由波浪线表示的键要么是单键，要么是双键；或者是所述化合物的N-氧化物，其中1个或多个N原子携带氧原子；或其药学上可接受的盐；以及新的邻苯二氮䓬基衍生物；其制备方法；在用于治疗人体或动物体的方法中的应用；用于治疗疾病的用途，特别是由眼部新生血管形成引起的疾病，如老年性黄斑变性或糖尿病性视网膜病变，或对酪氨酸激酶抑制有反应的其他疾病，如增生性疾病；哺乳动物中治疗此类疾病的方法；以及用这种化合物制备药物制剂，特别是用于治疗上述疾病的制剂。
• Isoquinoline derivatives with angiogenesis inhibiting activity
  申请人：——

  公开号：US20020010181A1

  公开（公告）日：2002-01-24

  The invention relates to compounds of formula I 1 wherein r is from 0 to 2; n is from 0 to 2; m is from 0 to 4; A, B, D and E are each independently of the others N or CH, with the proviso that not more than two of those radicals are N; G is lower alkylene, —CH 2 —O—, —CH 2 —S—, —CH 2 —NH—, oxa (—O—), thia (—S—) or imino (—NH—), or is lower alkylene substituted by acyloxy or by hydroxy; Q is lower alkyl, especially methyl; R is H or lower alkyl; X is imino, oxa or thia; Y is lower alkyl or, especially, aryl, heteroaryl or unsubstituted or substituted cycloalkyl; and Z is amino, mono- or di-substituted amino, halogen, alkyl, substituted alkyl, hydroxy, etherified or esterified hydroxy, nitro, cyano, carboxy, esterified carboxy, alkanoyl, carbamoyl, N-mono- or N,N-di-substituted carbamoyl, amidino, guanidino, mercapto, sulfo, phenylthio, phenyl-lower alkylthio, alkylphenylthio, phenylsulfinyl, phenyl-lower alkylsulfinyl, alkylphenyl-sulfinyl, phenylsulfonyl, phenyl-lower alkanesulfonyl or alkylphenylsulfonyl, and where, if more than one radical Z is present (m≧4), the substituents Z are identical or different; and wherein the bonds indicated by a wavy line are either single bonds or double bonds; or an N-oxide of the mentioned compound, wherein one or more N atoms carry an oxygen atom; or a salt thereof. The compounds inhibit especially angiogenesis.

  该发明涉及公式I1的化合物，其中r取值范围为0至2；n取值范围为0至2；m取值范围为0至4；A、B、D和E分别独立于他者为N或CH，条件是这些基团中不超过两个为N；G为低碳链，-CH2-O-，- -S-，- -NH-，氧杂环（-O-），硫杂环（-S-）或亚胺基（-NH-），或者是被酰氧基或羟基取代的低碳链；Q为低烷基，特别是甲基；R为H或低烷基；X为亚胺基，氧杂环或硫杂环；Y为低烷基或者特别是芳基、杂芳基或未取代或取代的环烷基；Z为氨基，单取代或双取代氨基，卤素，烷基，取代烷基，羟基，醚化或酯化羟基，硝基，氰基，羧基，酯化羧基，烷酰基，氨基甲酰基，N-单取代或N,N-二取代氨基甲酰基，酰胺基，胍基，巯基，磺基，苯硫基，苯-低烷基硫基，烷基苯硫基，苯亚砜基，苯-低烷基亚砜基，烷基苯亚砜基，苯砜基，苯-低碳烷基砜基或烷基苯砜基，其中，如果存在多个基团Z（m≥4），取代基Z相同或不同；所示波浪线表示的键为单键或双键；或者所述化合物的N-氧化物，其中一个或多个N原子携带一个氧原子；或者其盐。这些化合物特别抑制血管生成。
• Phosphonium-Based Ionic Liquids and Uses
  申请人：Del Sesto Rico E.

  公开号：US20120138789A1

  公开（公告）日：2012-06-07

  Phosphonium-based room temperature ionic liquids (“RTILs”) were prepared. They were used as matrices for Matrix-Assisted Laser Desorption Ionization (MALDI) mass spectrometry and also for preparing samples of dyes for analysis.

  基于磷的室温离子液体（“RTILs”）已制备。它们被用作基质辅助激光解吸电离（MALDI）质谱和染料样品制备的基质。
• [EN] ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES<br/>[FR] DERIVES D'AZAHEXANE HETEROCYCLIQUES A ACTIVITE ANTIVIRALE
  申请人：NOVARTIS AG

  公开号：WO1997040029A1

  公开（公告）日：1997-10-30

  (EN) There are described compounds of formula (I*) wherein R1 is lower alkoxycarbonyl, R2 is secondary or tertiary lower alkyl or lower alkylthio-lower alkyl, R3 is phenyl that is unsubsituted or substituted by one or more lower alkoxy radicals, or C4-C8cycloalkyl, R4 is phenyl or cyclohexyl each substituted in the 4-position by unsaturated heterocyclyl that is bonded by way of a ring carbon atom, has from 5 to 8 ring atoms, contains from 1 to 4 hetero atoms selected from nitrogen, oxygen, sulfur, sulfinyl (-SO-) and sulfonyl (-SO2-) and is unsubstituted or substituted by lower alkyl or by phenyl-lower alkyl, R5, independently of R2, has one of the meanings mentioned for R2, and R6, independently of R1, is lower alkoxycarbonyl, or salts thereof, provided that at least one salt-forming group is present. The compounds are inhibitors of retroviral aspartate protease and can be used, for example, in the treatment of AIDS. They exhibit outstanding pharmacodynamic properties.(FR) L'invention se rapporte à des composés de la formule (I*) dans laquelle R1 représente alcoxycarbonyle inférieur, R2 représente un alkyle inférieur secondaire ou tertiaire ou un alkylthio inférieur-alkyl inférieur, R3 représente phényle qui est substitué ou non par un ou plusieurs radicaux alcoxy inférieur, ou cycloalkyle en C4-C8, R4 représente phényle ou cyclohéxyle, chacun substitué en position 4 par un hétérocyclyle insaturé qui est lié par un atome de carbone du cycle, possède de 5 à 8 atomes cycliques, renferme de 1 à 4 hétéroatomes sélectionnés parmi azote, oxygène, soufre, sulfinyle (-SO-) et sulfonyle (-SO2-) et à substituer ou non par alkyle inférieur ou par phényl-alkyle inférieur, R5, indépendamment de R2, possède l'une des significations précitées pour R2, et R6, indépendamment de R1, représente alcoxycarbonyle inférieur, ou à des sels de ces composés, à condition qu'au moins un groupe formant un sel soit présent. Ces composés sont des inhibiteurs de l'aspartate protéase rétrovirale et peuvent être utilisés, par exemple, dans le traitement du SIDA. Ils présentent d'excellentes propriétés pharmacodynamiques.

  (中文) 描述了式(I*)的化合物，其中R1为低级烷氧羰基，R2为次级或三级低级烷基或低级烷硫基-低级烷基，R3为苯基，未取代或被一个或多个低级烷氧基取代，或C4-C8环烷基，R4为苯基或环己基，每个取代在4位上的不饱和杂环基通过一个环碳原子相连，具有5-8个环原子，包含1-4个从氮、氧、硫、亚硫基(-SO-)和磺酰基(-SO2-)中选取的杂原子，未取代或被低级烷基或苯基-低级烷基取代，R5与R2独立，具有R2中提到的其中一种含义，R6与R1独立，为低级烷氧羰基或其盐，前提是至少存在一个形成盐的基团。这些化合物是逆转录病毒天冬氨酸蛋白酶抑制剂，可以用于治疗艾滋病等疾病。它们具有出色的药理学特性。
• [EN] AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES<br/>[FR] DERIVES D'AZAHEXANE UTILES COMME ISOSTERES SUBSTRATS D'ASPARTATES PROTEASES RETROVIRALES
  申请人：NOVARTIS AG

  公开号：WO1997019055A1

  公开（公告）日：1997-05-29

  (EN) The invention relates to compounds of formula (I): wherein R1 and R10 are each independently of the other lower alkoxycarbonyl; either R2, R3 and R4 are each independently of the other C1-C4alkyl and R7, R8 and R9 are each selected from hydrogen and C1-C4alkyl, with not more than 2 of the radicals being hydrogen; or R7, R8 and R9 are each independently of the other C1-C4alkyl and R2, R3 and R4 are each selected from hydrogen and C1-C4alkyl, with 1 or 2 of the radicals being hydrogen; R5 is phenyl or cyclohexyl; and R6 is phenyl or cyanophenyl; or salts thereof; those compounds are inhibitors of retroviral aspartate proteases and are effective, for example, against HIV.(FR) L'invention concerne des composés de la formule (I) ou des sels de ceux-ci. Dans cette formule, R1 et R10 représentent chacun indépendamment alcoxycarbonyle inférieur, soit R2, R3 et R4 représentent chacun indépendamment alkyle C1-C4, et R7, R8 et R9 représentent chacun hydrogène ou alkyle C1-C4, deux de ces radicaux au maximum représentant hydrogène, soit R7, R8 et R9 représentent chacun indépendamment alkyle C1-C4 et R2, R3 et R4 représentent chacun hydrogène ou alkyle C1-C4, 1 ou 2 de ces radicaux représentant hydrogène, R5 représente phényle ou cyclohexyle, et R6 représente phényle ou cyanophényle. Ces composés sont des inhibiteurs des aspartates protéases rétrovirales et ils sont efficace, par exemple, contre le VIH.

  本发明涉及式(I)的化合物，其中R1和R10各自独立地为低级烷氧羰基；要么R2、R3和R4各自独立地为C1-C4烷基，而R7、R8和R9分别选择自氢和C1-C4烷基，其中不超过2个基团为氢；要么R7、R8和R9各自独立地为C1-C4烷基，而R2、R3和R4分别选择自氢和C1-C4烷基，其中1或2个基团为氢；R5为苯基或环己基；R6为苯基或氰基苯基；或其盐。这些化合物是反转录病毒天冬氨酸蛋白酶的抑制剂，并且对HIV等病毒有效。