8-氨基喹唑啉 | 101421-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 8-氨基喹唑啉
• 英文名称: quinazolin-8-ylamine
• 英文别名: quinazolin-8-amine；Chinazolin-8-ylamin；8-aminoquinazoline
• CAS: 101421-74-3
• 化学式: C₈H₇N₃
• mdl: MFCD09029725
• 分子量: 145.164
• InChiKey: PDLQGOYYXRNZOD-UHFFFAOYSA-N

物化性质

• 熔点：
  150-150.5 °C
• 沸点：
  328.3±17.0 °C(Predicted)
• 密度：
  1.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H302,H319

反应信息

• 作为反应物：
  描述：

  8-氨基喹唑啉 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 24.0h， 生成 3-Quinazolin-8-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
  参考文献：
  名称：

  Novel Transient Receptor Potential Vanilloid 1 Receptor Antagonists for the Treatment of Pain:  Structure−Activity Relationships for Ureas with Quinoline, Isoquinoline, Quinazoline, Phthalazine, Quinoxaline, and Cinnoline Moieties

  摘要：

  Novel transient receptor potential vanilloid 1 (TRPV1) receptor antagonists with various bicyclic heteroaromatic pharmacophores were synthesized, and their in vitro activity in blocking capsaicin activation of TRPV1 was assessed. On the basis of the contribution of these pharmacophores to the in vitro potency, they were ranked in the order of 5-isoquinoline > 8-quinoline = 8-quinazoline > 8-isoquinoline greater than or equal to cinnoline approximate to phthalazine approximate to quinoxaline approximate to 5-quinoline. The 5-isoquinoline-containing compound 14a (hTRPV1 IC50 = 4 nM) exhibited 46% oral bioavailability and in vivo activity in animal models of visceral and inflammatory pain. Pharmacokinetic and pharmacological properties of 14a are substantial improvements over the profile of the high-throughput screening hit 1 (hTRPV1 IC50 = 22 nM), which was not efficacious in animal pain models and was not orally bioavailable.

  DOI：

  10.1021/jm0492958
• 作为产物：
  描述：

  3,4-二氢-8-喹唑啉胺 在 氢氧化钾 、 水 、 potassium hexacyanoferrate(III) 作用下， 生成 8-氨基喹唑啉
  参考文献：
  名称：

  Predictors and Incidence of Urinary Incontinence in Elderly Canadians With and Without Dementia — A Five-Year Follow Up: The Canadian Study of Health and Aging

  摘要：

  摘要本研究以加拿大全国健康与老龄化研究为基础，旨在确定社会人口和医疗因素、认知和功能状况对尿失禁发生的重要预测作用，并按性别和年龄组估计五年的发病率。对加拿大健康与老龄化研究（Canadian Study of Health and Aging）中于 1992 年接受临床检查并在当时排尿的参与者进行了跟踪调查，并于 1997 年再次确定了他们的尿失禁状况。分别为男性（306 人）和女性（520 人）幸存者建立了以每日尿失禁和每日或少于每日尿失禁为结果的多变量逻辑回归模型。预测变量分为以下几组：社会人口因素、认知状况、功能状况、糖尿病和中风。此外，还估算了按性别和年龄组分列的每日尿失禁和小于每日尿失禁的五年累计发生率。结果表明，女性尿失禁的发生率高于男性，而且随着年龄的增长，男女尿失禁的发生率均有所上升。尤其是在男性中，住在养老院的人比住在社区的人更容易出现尿失禁。尿失禁随痴呆症的严重程度而急剧增加，但随身体活动不便而增加。糖尿病与男性尿失禁的发生有关，但与女性无关。结论是，尿失禁在老年人中很常见，对老年人进行常规医疗和护理评估时应询问是否存在尿失禁。出现尿失禁的老年人通常患有痴呆症且身体机能受损。评估和处理的程度应根据每位患者的具体情况认真制定。

  DOI：

  10.1017/s0714980800000672

文献信息

• Chemoselective nitration of aromatic sulfonamides with tert-butyl nitrite
  作者：Brenden Kilpatrick、Markus Heller、Steve Arns

  DOI：10.1039/c2cc37481a

  日期：——

  A methodology for the efficient conversion of aromatic sulfonamides into their mono-nitro derivatives using tert-butyl nitrite is reported. The reaction exhibits a high degree of chemoselectivity for sulfonamide functionalized aryl systems, even in the presence of other sensitive or potentially reactive functionalities.

  报道了一种利用叔丁基亚硝酸盐将芳香磺酰胺高效转化为单硝基衍生物的方法。该反应对于含有磺酰胺官能团的芳基体系表现出高度的化学选择性，即使在存在其他敏感或潜在反应性官能团的情况下亦是如此。
• Novel Sulfonaminoquinoline Hepcidin Antagonists
  申请人：Buhr Wilm

  公开号：US20120214803A1

  公开（公告）日：2012-08-23

  The present invention relates to novel hepcidin antagonists, pharmaceutical compositions comprising them and the use thereof as medicaments for the use in the treatment of iron metabolism disorders, such as, in particular, iron deficiency diseases and anemias, in particular anemias in connection with chronic inflammatory diseases.

  本发明涉及新型肝铁蛋白拮抗剂，包括它们的药物组合物以及将其用作药物治疗铁代谢紊乱，特别是铁缺乏病和贫血等疾病，特别是与慢性炎症性疾病相关的贫血。
• [EN] TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS<br/>[FR] COMPOSE DE BENZOPYRANNE TRICYCLIQUE EN TANT QU'AGENTS ANTI-ARRYTHMIQUES
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2005090357A1

  公开（公告）日：2005-09-29

  This invention relates to benzopyran derivatives of formula (I) or (II), or pharmaceutically acceptable salts thereof wherein R1 and R2 are independently of each other hydrogen atom, C1-6alkyl group or C6-14aryl group, R3 is hydrogen atom or C1-6alkylcarbonyloxy group, or together with R4 forms a bond, R4 is hydrogen atom, or together with R3 forms a bond, m is an integer of 0 to 4, n is an integer of 0 to 4, V is a single bond, CR7R8, NR9, O, S, SO or SO2, R5 is hydrogen atom or C1-6alkyl group, R6 is hydrogen atom, C1-6alkyl group, C3-8cycloalkyl group, C3-8cycloalkenyl group, amino group, C1-6alkylamino group, di-C1-6alkylamino group, C6-14arylamino group, C2-9heteroarylamino group, C6-14aryl group, C2-9heteroaryl group or C2-9heterocyclyl group, A is 5-, 6- or 7-member ring fused with benzene ring, as constituent atom of the ring, oxygen atom, nitrogen atom or sulfur atom may be contained in the number of 1 to 3 alone or in a combination thereof, the number of unsaturated bond in the ring is 1, 2 or 3 including an unsaturated bond of the benzene ring to be fused, carbon atoms constituting the ring may be carbonyl or thiocarbonyl. These compounds are useful as an anti-arrhythmic agent.

  本发明涉及公式（I）或（II）的苯并吡喁衍生物，或其药学上可接受的盐，其中R1和R2分别是氢原子、C1-6烷基或C6-14芳基，R3是氢原子或C1-6烷基羰氧基，或与R4一起形成键，R4是氢原子，或与R3一起形成键，m是0到4的整数，n是0到4的整数，V是单键，CR7R8，NR9，O，S，SO或SO2，R5是氢原子或C1-6烷基，R6是氢原子，C1-6烷基，C3-8环烷基，C3-8环烯基，氨基，C1-6烷基氨基，二C1-6烷基氨基，C6-14芳基氨基，C2-9杂芳基氨基，C6-14芳基，C2-9杂芳基或C2-9杂环烷基，A是与苯环融合的5、6或7成员环，作为环的组成原子，氧原子、氮原子或硫原子可以单独或组合地包含在其中，环中的不饱和键数为1、2或3，包括与苯环融合的不饱和键，构成环的碳原子可以是羰基或硫代羰基。这些化合物可用作抗心律失常药物。
• [EN] UREA COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN<br/>[FR] COMPOSES A BASE D'UREE, ACTIFS EN TANT QU'ANTAGONISTES DU RECEPTEUR DE LA VANILLOIDE ET UTILISES POUR TRAITER LES DOULEURS
  申请人：GLAXO GROUP LTD

  公开号：WO2004024710A1

  公开（公告）日：2004-03-25

  Certain compounds of formula (I): or a pharmaceutically acceptable salt or solvate thereof, wherein R1, R2, P, P', n, p, q, r and s are as defined in the specification, a process for preparing such compounds, a pharmaceutical composition comprising such compounds and the use of such compounds in medicine.

  公式（I）的某些化合物：或其药用可接受的盐或溶剂，其中R1、R2、P、P'、n、p、q、r和s如规范中所定义，一种制备这种化合物的方法，包括这种化合物的药物组合物以及这种化合物在医学上的用途。
• Organic Electroluminescent Materials and Devices
  申请人：Universal Display Corporation

  公开号：US20160260909A1

  公开（公告）日：2016-09-08

  The invention discloses novel polyheteroaromatic compounds derived from indolocarbazole core structures. These compounds can be used as hosts for PHOLEDs.

  本发明揭示了由吲哚并咔唑核心结构衍生的新型多杂环芳香化合物。这些化合物可以用作PHOLED的宿主材料。