3-氨基环戊-2-烯-1-酮 | 28566-12-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基酰胺
• 中文名称: 3-氨基环戊-2-烯-1-酮
• 英文名称: 3-amino-cyclopent-2-en-1-one
• 英文别名: 3-aminocyclopent-2-enone；3-Aminocyclopent-2-en-1-one
• CAS: 28566-12-3
• 化学式: C₅H₇NO
• mdl: MFCD11982990
• 分子量: 97.1167
• InChiKey: LSROXAYPMFICCA-UHFFFAOYSA-N

物化性质

• 沸点：
  199.2±30.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  | 2～8℃ |

反应信息

• 作为反应物：
  描述：

  3-氨基环戊-2-烯-1-酮 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 甲醇 、 醋酸异丙酯 为溶剂， 反应 120.75h， 生成 methyl 4-(3-bromo-4-fluorophenyl)-2-(bromomethyl)-4,5,6,7-tetrahydro-5-oxo-1H-cyclopenta[b]pyridine-3-carboxylate
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationships of a Novel Series of Tricyclic Dihydropyridine-Based K_ATP Openers That Potently Inhibit Bladder Contractions in Vitro

  摘要：

  Structure-activity relationships were investigated on a novel series of tricyclic dihydropyridine-containing K-ATP openers. This diverse group of analogues, comprising a variety of heterocyclic rings fused to the dihydropyridine nucleus, was designed to determine the influence on activity of hydrogen-bond-donating and -accepting groups and their stereochemical disposition. Compounds were evaluated for K-ATP activity in guinea pig bladder cells using a fluorescence-based membrane potential assay and in a pig bladder strip assay. The inhibition of spontaneous bladder contractions in vitro was also examined for a subset of compounds. All compounds studied showed greater potency to inhibit spontaneous bladder contractions relative to their potencies to inhibit contractions elicited by electrical stimulation.

  DOI：

  10.1021/jm030357o
• 作为产物：
  描述：

  4-环戊烯-1,3-二酮 在 氨 作用下， 以 乙醇 为溶剂， 生成 3-氨基环戊-2-烯-1-酮
  参考文献：
  名称：

  Ruangsiyanand,C. et al., Chemische Berichte, 1970, vol. 103, p. 2403 - 2410

  摘要：

  DOI：

文献信息

• 取代的氧代吡啶衍生物及其作为因子XIA/血 浆的用途
  申请人：拜耳制药股份公司

  公开号：CN105555767B

  公开（公告）日：2018-03-23

  本发明涉及式(I)的取代的氧代吡啶衍生物及其制备方法，还涉及它们用于制造治疗和/或预防疾病，特别是心血管疾病，优选血栓性或血栓栓塞性疾病和水肿以及眼科疾病用的药剂的用途，其中n代表数值1或2，A代表–N(R2)‑或‑CH2‑，R1代表式(II)的基团，R3和R4代表氢，且R5代表式(III)或(IV)的基团。
• Studies on quinoline derivatives and related compounds. III. A novel pyridine synthesis to give substituted 1,4-dihydro-4-oxonicotinic acids
  作者：Hideo Agui、Hisao Tobiki、Takenari Nakagome

  DOI：10.1002/jhet.5570120629

  日期：1975.12

  A variety of 5-mono- and 5,6-disubstituted 1,4-dihydro-4-oxonicotinates were prepared by a novel pyridine synthesis which involves thermal cyclisation of enaminomethylenemalonates 9. The intermediates 9 were readily prepared through a few steps from commercially available starting materials.

  通过新颖的吡啶合成制备各种5-单-和5,6-二取代的1,4-二氢-4-氧代烟酸酯，所述新颖的吡啶合成涉及烯氨基亚甲基丙二酸酯9的热环化。中间体9可以通过几步容易地从市售品中制备。起始材料。
• SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF AS FACTOR XIA/PLASMA
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160152613A1

  公开（公告）日：2016-06-02

  The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

  本发明涉及取代的氧化吡啶衍生物及其制备过程，以及它们用于制备治疗和/或预防疾病，特别是心血管疾病，优选血栓性疾病或血栓栓塞疾病，以及水肿和眼病的药物的应用。
• [EN] HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS<br/>[FR] UTILISATION DE DÉRIVÉS HÉTÉROARYLCARBOXAMIDES COMME INHIBITEURS DE LA KALLICRÉINE PLASMATIQUE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2017072021A1

  公开（公告）日：2017-05-04

  The present invention relates to compounds of general formula (I), wherein D 1 to D 3, -A-, n, R 1, R 2, Y 1, L and y2 are defined as in claim 1, which have valuable pharmacological properties, in particular are inhibitors of plasma kallikrein. The compounds are suitable for treatment and prevention of diseases which can be influenced by inhibition of plasma kallikrein, such as diabetic complications, particularly in the treatment of retinal vascular permeability associated with diabetic retinopathy and diabetic macular edema.

  本发明涉及一般式（I）的化合物，其中D1至D3，-A-，n，R1，R2，Y1，L和Y2的定义如权利要求书中所述，具有有价值的药理特性，特别是是血浆激肽酶的抑制剂。这些化合物适用于治疗和预防可以通过抑制血浆激肽酶而受影响的疾病，例如糖尿病并发症，特别是治疗与糖尿病视网膜病变和糖尿病黄斑水肿相关的视网膜血管通透性。
• Pyrano, piperidino, and thiopyrano compounds and methods of use
  申请人：Abbott Laboratories

  公开号：US06642222B2

  公开（公告）日：2003-11-04

  The present invention provides novel compounds of formula I which may be useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions.

  本发明提供了一种公式I的新化合物，可能在超极化细胞膜、打开钾通道、放松平滑肌细胞和抑制膀胱收缩方面有用。