1,1-dipentylguanidine | 69724-12-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1-dipentylguanidine
• CAS: 69724-12-5
• 化学式: C₁₁H₂₅N₃
• mdl: MFCD20617356
• 分子量: 199.34
• InChiKey: SBFBPEVOKQRGSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  53.1
• 氢给体数：
  2
• 氢受体数：
  1

文献信息

• METHOD FOR PREPARING FLUORINE-18-LABELED FLUOROMETHYL-SUBSTITUTED RADIOPHARMACEUTICALS USING SELECTIVE AZIDE SUBSTITUTION REACTION AND PRECURSOR SCAVENGING
  申请人：Bik Therapeutics Inc.

  公开号：US20210205482A1

  公开（公告）日：2021-07-08

  A method for preparing a fluorine-18-labeled fluoromethyl-substituted radiopharmaceutical using a selective azide substitution reaction includes (1) obtaining a [ 18 F]fluoride from a cyclotron through an 18 O(p,n) 18 F reaction; (2) separating the [ 18 F] fluoride using an acetonitrile reaction solution containing dissolved K 2,2,2 and K 2 CO 3 to obtain a [ 18 F]F − /H 2 18 O solution; (3) heating the [ 18 F]F − /H 2 18 O solution to obtain K 2,2,2 /K 18 F; (4) placing the K 2,2,2 /K 18 F along with a bis(tosyloxy)methane compound into a reactor and adding a reaction solvent to cause a reaction and obtain a first precursor solution; (5) cooling the first precursor solution and adding an azide reagent to cause an azide substitution reaction and obtain a [ 18 F]fluoromethyltosylate compound; (6) adding a bioactive molecule to the [ 18 F]fluoromethyltosylate compound to cause an alkylation reaction and obtain a second precursor solution; and (7) adding a precursor scavenger to the second precursor solution and scavenging unreacted precursors to produce a fluorine-18-labeled fluoromethyl-substituted radiopharmaceutical.

  一种制备氟-18标记的氟甲基取代放射性药物的方法包括：（1）通过选择性叠氮取代反应从超导环中获得[18F]氟化物；（2）使用含有溶解的K2,2,2和K2CO3的乙腈反应溶液分离[18F]氟化物，以获得[18F]F−/H218O溶液；（3）加热[18F]F−/H218O溶液以获得K2,2,2/K18F；（4）将K2,2,2/K18F与双对甲苯磺酰氧基甲烷化合物放入反应器中，并加入反应溶剂引起反应，获得第一前体溶液；（5）冷却第一前体溶液，并加入叠氮试剂引起叠氮取代反应，获得[18F]氟甲基对甲苯磺酸酯化合物；（6）将生物活性分子加入[18F]氟甲基对甲苯磺酸酯化合物中引起烷基化反应，获得第二前体溶液；（7）向第二前体溶液中加入前体清除剂，并清除未反应的前体，以制备氟-18标记的氟甲基取代放射性药物。
• Benzoaxathiepin derivatives and their use as medicines
  申请人：——

  公开号：US20040127552A1

  公开（公告）日：2004-07-01

  The invention concerns 3-arylthio-propyl-amino-3,4-dihydro-2H-1,5-aryloxathiepin derivatives of general formula (I), wherein: R1 and R2, identical or different, represent a hydrogen atom, a fluorine atom or a chlorine atom, a hydroxy group, an alkyl, cyclopropyl, alkoxy, cyclopropoxy radical or when they occupy adjacent positions, form with the carbon atoms bearing them a carbon-containing cycle or an oxygen-containing heterocycle with five non-aromatic rings; R3 represents an alkyl radical, a hydroxy group or a methoxy radical; R4 represents a hydrogen atom or a methyl radical; and R 5 ?and R6, identical or different represent a hydrogen atom, an alkyl, alkoxy, alkylthio, alkylamino radical, or the groups OR4 and R5 form with the carbons which bear them a non-aromatic heterocycle with five or six rings containing at least an oxygen atom; and their pharmaceutically acceptable additions salts. 1

  该发明涉及一般式(I)的3-芳基硫代丙基氨基-3,4-二氢-2H-1,5-芳氧硫杂环戊烷衍生物，其中：R1和R2，相同或不同，代表氢原子、氟原子或氯原子、羟基、烷基、环丙基、烷氧基、环丙氧基基团或当它们占据相邻位置时，与携带它们的碳原子形成含碳环或含氧杂环的非芳香环，R3代表烷基基团、羟基或甲氧基基团；R4代表氢原子或甲基基团；R5和R6，相同或不同，代表氢原子、烷基、烷氧基、烷硫基、烷基氨基基团，或基团OR4和R5与携带它们的碳形成含至少一个氧原子的五元或六元环的非芳香杂环；以及它们的药学上可接受的盐。
• NOVEL ACYL GUANIDINE DERIVATIVES
  申请人：MIYANAGA Wataru

  公开号：US20110082109A1

  公开（公告）日：2011-04-07

  The present invention provides a pharmaceutical which possesses an excellent inhibitory effect on NHE3 (Na + /H + exchanger type 3) and effectively improves diseases or conditions of organs in which NHE3 is expressed.

  本发明提供了一种药物，具有优异的对NHE3（Na+/H+交换器类型3）的抑制作用，并有效改善NHE3表达的器官的疾病或病况。
• N,N' -DIARYLUREA, N,N' -DIARYLTHIOUREA AND N,N' -DIARYLGUANIDINO COMPOUNDS FOR USE IN TREATMENT AND PREVENTION OF INFLAMMATORY DISEASE
  申请人：Universität Innsbruck

  公开号：EP3315495A1

  公开（公告）日：2018-05-02

  A compound according to formula I wherein L is CH2-O, CH2-S, CH2-CH2, or CH=CH; R1 and R2 are independently selected out of H, halogen, C1 to C3 alkyl, halogenated C1 to C3 alkyl, C1 to C3 alkyloxy, or halogenated C1 to C3 alkyloxy; Ar is an aryl moiety, preferably phenyl or naphthyl, or a moncyclic- or bicyclic heteroaryl moiety, wherein optionally the aryl or heteroaryl moiety is further substituted; X is O, S, or NR3, wherein R3 is H, C1 to C3 alkyl, halogenated C1 to C3 alkyl, or tert-butyloxycarbonyl; Y is O, S, NR4 or N(R4)R5, wherein R4 and R5 are independently selected out of H or C1 to C3 alkyl; and wherein if Y is O, S, or NR4, then both A are NH, and the punctuated bonds represent a double bond to Y and single bonds to each A; or wherein if Y is N(R4)R5, then one A is N, the other A is NH, and the punctuated bonds represent a double bond to the A being N, a single bond to the A being NH and a single bond to Y; and use of such a compound in treatment or prevention of an inflammatory disease or an inflammation-related disorder.

  根据公式I，其中L为CH2-O， -S， - 或CH=CH；R1和R2分别选择自H，卤素，C1到C3烷基，卤代C1到C3烷基，C1到C3烷氧基，或卤代C1到C3烷氧基；Ar为芳基，最好为苯基或萘基，或者是单环或双环杂环芳基，其中芳基或杂环芳基可以进一步取代；X为O，S或NR3，其中R3为H，C1到C3烷基，卤代C1到C3烷基，或叔丁氧羰基；Y为O，S，NR4或N（R4）R5，其中R4和R5分别选择自H或C1到C3烷基；如果Y为O，S或NR4，则两个A均为NH，点线表示与Y形成双键，与每个A形成单键；如果Y为N（R4）R5，则一个A为N，另一个A为NH，点线表示与A为N形成双键，与A为NH形成单键，与Y形成单键；该化合物在治疗或预防炎症性疾病或与炎症相关的疾病中的用途。
• FUNCTIONAL REINFORCING FILLERS MODIFIED WITH ALKENYLALKOXYSILANE AND PREPARING METHOD OF THE SAME
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20140102332A1

  公开（公告）日：2014-04-17

  Disclosed are a functional reinforcing filler including inorganic particles surface-modified with an alkenylsilanol obtained by hydrolyzing an alkenylalkoxysilane compound, and a method for preparing the same. Since the disclosed functional reinforcing filler has a functional group having a double bond, it has good reactivity for styrene-butadiene rubber and sulfur. Thus, when used as a functional reinforcing filler in the manufacture of rubber, it allows improvement of physical properties through adjustment of the addition amount of sulfur without additional use of the coupling agent. In addition, because of superior hydrolysis reactivity, the problem of alcohol can be solved and a rubber mixture with long scorch time can be prepared. In particular, when the functional reinforcing filler of the present invention is used in the manufacture of tires, improvement in modulus, tensile strength, rotational resistance and wet traction performance can be expected.

  本发明公开了一种功能性增强填料，其中包括经过烯基硅醇表面修饰的无机颗粒，该烯基硅醇是通过水解烯基烷氧基硅烷化合物得到的，并且公开了其制备方法。由于所公开的功能性增强填料具有具有双键的功能性基团，因此对于苯乙烯-丁二烯橡胶和硫具有良好的反应性。因此，在橡胶制造中使用作为功能性增强填料时，可以通过调整硫的添加量来改善物理性能，而无需额外使用偶联剂。此外，由于其优异的水解反应性，可以解决醇的问题，并制备具有长烧伤时间的橡胶混合物。特别是，当本发明的功能性增强填料用于轮胎制造时，可以预期提高模量、拉伸强度、旋转阻力和湿地牵引性能。