heptyl-guanidine | 60062-22-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: heptyl-guanidine
• 英文别名: Heptyl-guanidin；2-heptylguanidine
• CAS: 60062-22-8
• 化学式: C₈H₁₉N₃
• 分子量: 157.259
• InChiKey: BRYCHZGKSUXWHM-UHFFFAOYSA-N

物化性质

• 沸点：
  230.8±23.0 °C(Predicted)
• 密度：
  0.99±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  heptyl-guanidine 、 methyl 1-(2',3',5'-tri-O-benzoyl-β-D-ribofuranosyl)imidazole-4,5-dicarboxylate 在 甲醇 、 sodium methylate 作用下， 以36%的产率得到4,5-dihydro-8H-6-(N-heptyl)amino-1-(β-D-ribofuranosyl)imidazo[4,5-e][1,3]diazepine-4,8-dione
  参考文献：
  名称：

  Potent Inhibition of NTPase/Helicase of the West Nile Virus by Ring-Expanded (“Fat”) Nucleoside Analogues

  摘要：

  A series of ring-expanded ("fat") nucleoside analogues (RENs) containing the 6-aminoimidazo-[4,5-e] [1,3]diazepine-4,8-dione ring system have been synthesized and screened for inhibition of NTPase/helicase of the West Nile Virus (WNV). To assess the selectivity of RENs against the viral enzymes, a truncated form of human enzyme Suv3((Delta1-159)) was also included in the study. Ring-expanded nucleosides 16, 17, and 19, which possess the long C-12, C-14, and C-18 side-chains, respectively, at position 6, as well as the ring-expanded heterocycle 39, which contains aralkyl substitution at position 1, were all found to have excellent profiles of activity and selectivity toward the viral versus human enzymes against the West Nile Virus (IC50 ranging 1-10 muM). Compound 30, while being an equally potent inhibitor of WNV, was found to be somewhat less selective, whereas compound 36, which is an alpha-anomeric counterpart of 30, exhibited potent and selective inhibition of WN-V (IC50 1-3 muM). The same compounds that showed potent inhibition of viral helicase activity completely failed to show any activity against the viral NTPase reaction even up to 500 muM. However, at concentrations >500 muM of RENs and the ATP concentrations >10 times the K-m value of the enzyme, a significant activation of NTPase activity was observed. This activating effect underwent further dramatic enhancement (>1000%) by further increases in ATP concentration in the reaction mixture, suggesting that the viral helicase and NTPase reactions are not coupled. A tentative mechanistic model has been proposed to explain the observed results.

  DOI：

  10.1021/jm030277k
• 作为产物：
  描述：

  庚胺 、 亚硝基胍 在 水 作用下， 生成 heptyl-guanidine
  参考文献：
  名称：

  Davis; Rosenquist, Journal of the American Chemical Society, 1937, vol. 59, p. 2114

  摘要：

  DOI：

文献信息

• [EN] MODIFIED PEPTIDES FOR USE IN TREATING NEURODEGENERATIVE DISORDERS<br/>[FR] PEPTIDES MODIFIÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE TROUBLES NEURODÉGÉNÉRATIFS
  申请人：NEURO BIO LTD

  公开号：WO2018033724A1

  公开（公告）日：2018-02-22

  The invention relates to neurodegenerative disorders, and in particular to novel peptides, peptidomimetics, compositions, therapies and methods for treating such conditions, for example Alzheimer's disease.

  这项发明涉及神经退行性疾病，特别是针对新型肽、肽类似物、组合物、治疗方法，用于治疗这类疾病，例如阿尔茨海默病。
• [EN] NOVEL 1,3,8-TRIAZASPIRO[4.5]DECANONES WITH HIGH AFFINITY FOR OPIOID RECEPTOR SUBTYPES<br/>[FR] NOUVELLES 1,3,8-TRIAZASPIRO[4.5]DECANONES POSSEDANT UNE AFFINITE ELEVEE POUR LES SOUS-TYPES DU RECEPTEUR OPIOIDE
  申请人：NOVO NORDISK A/S

  公开号：WO1999059997A1

  公开（公告）日：1999-11-25

  (EN) The present invention relates to use of small organic compounds acting as opioid receptor ligands for the treatment of vasomotor disturbances. In particular the present invention relates to the triazaspiro compounds of general formula (Ia) or (Ib) wherein R1 is selected among phenyl, arylalkyl or thienyl; R2 is selected among aminophenyl, C1-6-monoalkylaminophenyl, C1-6-dialkylaminophenyl, cyanophenyl, C2-6-alkylphenyl, naphthyl, tetrahydronaphthyl, furanyl, indanyl, benzothienyl or benzofuranyl; R3 is hydrogen, C1-6-alkyl, phenyl, benzyl, or acetyl; R4 is hydrogen or (CH2)m-(CHR9)-(CH2)p-AR11; R5 is hydrogen or C1-4-alkyl; z is CHR10 wherein R10 is hydrogen, C1-6-alkyl, phenyl or arylalkyl - or z is C2-8-alkylene, C2-8-alkenylene or C2-8-alkynylene; n is 1 or 2; or a pharmaceutically acceptable salt thereof for the treatment of migraine, non insulin dependent diabetes mellitus (type II diabetes), sepsis, inflammation, incontinence and/or vasomotor disturbances, in particular the peripheral vasomotor effects known as hot flushes or hot flashes.(FR) L'invention concerne l'utilisation de petits composés organiques agissant comme des ligands du récepteur opioïde, pour le traitement de troubles vasomoteurs. Elle se rapporte notamment à des composés triaza-spiro de formule générale (Ia) ou (Ib), dans lesquelles R1 est choisi parmi phényle, arylalkyle ou thiényle; R2 est choisi parmi aminophényle, monoalkylaminophényle C1-6, dialkylaminophényle C1-6, cyanophényle, alkylphénylenaphtyle C2-6, tétrahydronaphtyle, furanyle, indanyle, benzothiényle ou benzofuranyle; R3 représente hydrogène, alkyle C1-6, phényle, benzyle ou acétyle; R4 représente hydrogène ou (CH2)m-(CHR9)-(CH2)p-AR11; R5 représente hydrogène ou alkyle C1-4; z représente CHR10, R10 représentant hydrogène, alkyle C1-6, phényle ou arylalkyle - ou z représente alkylène C2-8, alcénylène C2-8 ou alkynylène C2-8; n vaut 1 ou 2. Elle peut encore se rapporter à un sel acceptable au plan pharmaceutique desdits composés, ledit sel et les composés étant utilisés pour le traitement de la migraine, du diabète non-insulinodépendant (diabète de type II), la septicémie, l'inflammation, l'incontinence et/ou les troubles vasomoteurs, notamment les effets vasomoteurs périphériques connus sous le nom de bouffées de chaleur.

  本发明涉及使用作为阿片受体配体的小有机化合物治疗血管运动失调。特别是本发明涉及一般式（Ia）或（Ib）的三唑螺化合物，其中R1在苯基，芳基烷基或噻吩基中选择；R2在氨基苯基，C1-6-单烷基氨基苯基，C1-6-双烷基氨基苯基，氰基苯基，C2-6-烷基苯基，萘基，四氢萘基，呋喃基，茚基，苯并噻吩基或苯并呋喃基中选择；R3是氢，C1-6-烷基，苯基，苄基或乙酰基；R4是氢或（CH2）m-（CHR9）-（CH2）p-AR11；R5是氢或C1-4-烷基；z是CHR10，其中R10是氢，C1-6-烷基，苯基或芳基烷基-或z是C2-8-烷基，C2-8-烯基或C2-8-炔基；n为1或2；或其药学上可接受的盐，用于治疗偏头痛，非胰岛素依赖性糖尿病（2型糖尿病），败血症，炎症，失禁和/或血管运动失调，特别是被称为潮热或热潮的周围血管运动效应。
• NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF
  申请人：Ochiai Hiroshi

  公开号：US20090233908A1

  公开（公告）日：2009-09-17

  A compound represented by formula (I): (wherein the symbols are the same as defined in the description), a salt thereof, an N-oxide thereof, a solvate thereof or a prodrug thereof, and medicinal use thereof. The compound represented by formula (I) has CXCR4 antagonistic activity. It is hence useful as, e.g., a preventive and/or therapeutic agent for CXCR4-mediated diseases such as inflammatory/immunologic diseases (e.g., rheumatoid arthritis, arthritis, retinopathy, pulmonary fibrosis, and rejection reactions of transplanted organs), allergic diseases, infections diseases (e.g., human immunodeficiency virus infection and acquired immunologic deficiency syndrome), psychoneurotic diseases, cerebral diseases, cardiac/vascular disease, metabolic diseases, cancer diseases (e.g., cancer, cancer metastasis) or as an agent for regeneration therapy.

  化合物的化学式为（I）：（其中符号的定义与说明书中相同），其盐，N-氧化物，溶剂化合物或前药，以及其药用。化合物（I）具有CXCR4拮抗活性。因此，它可用作预防和/或治疗CXCR4介导疾病的药物，例如炎症/免疫疾病（例如类风湿性关节炎，关节炎，视网膜病变，肺纤维化和移植器官的排斥反应），过敏性疾病，感染性疾病（例如人类免疫缺陷病毒感染和获得性免疫缺陷综合症），心理神经疾病，脑部疾病，心血管疾病，代谢性疾病，癌症（例如癌症，癌症转移）或再生治疗剂。
• COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF
  申请人：Hanada Keisuke

  公开号：US20090325992A1

  公开（公告）日：2009-12-31

  A compound represented by general formula (I): a salt thereof, a solvate thereof, or a prodrug thereof wherein all symbols are as defined in the specification has an antagonistic activity against CXCR4 and is therefore useful as a preventive and/or therapeutic agent for CXCR4-mediated diseases, for example, inflammatory and immune diseases (for example, rheumatoid arthritis, arthritis, retinopathy, macular degeneration, pulmonary fibrosis, transplanted organ rejection, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiovascular disease, metabolic diseases, cancerous diseases (for example, cancer, cancer metastasis, etc.), a preventive and/or therapeutic agent for cancerous diseases or infections, or an agent for regeneration therapy.

  化合物的一般式（I）所代表的化合物，其盐、溶剂化物或前药，其中所有符号均如规范中定义的那样，具有对CXCR4的拮抗活性，因此可用作预防和/或治疗CXCR4介导的疾病的药物，例如炎症和免疫性疾病（例如类风湿性关节炎、关节炎、视网膜病变、黄斑变性、肺纤维化、移植器官排斥等）、过敏性疾病、感染（例如人类免疫缺陷病毒感染、获得性免疫缺陷综合症等）、精神神经疾病、脑部疾病、心血管疾病、代谢性疾病、癌症（例如癌症、癌症转移等）的预防和/或治疗药物，或作为再生疗法的药物。
• NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS
  申请人：CARLINI Rina

  公开号：US20100035172A1

  公开（公告）日：2010-02-11

  A nanoscale pigment particle composition includes an organic benzimidazolone pigment, and a sterically bulky stabilizer compound, wherein the benzimidazolone pigment associates non-covalently with the sterically bulky stabilizer compound that is an alkylated-benzimidazolone compound; and the presence of the associated stabilizer limits the extent of particle growth and aggregation, to afford nanoscale pigment particles.

  一种纳米级颜料粒子组合物包括有机苯并二唑酮颜料和立体障碍稳定剂化合物，其中苯并二唑酮颜料与立体障碍稳定剂化合物非共价结合，该化合物是烷基化苯并二唑酮化合物；并且所述稳定剂的存在限制了颗粒生长和聚集的程度，从而得到纳米级颜料粒子。