4,5,6,7-四氢吡唑并[1,5-A]嘧啶 | 126352-69-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 中文名称: 4,5,6,7-四氢吡唑并[1,5-A]嘧啶
• 中文别名: 4,5,6,7-四氢吡唑[1,5-a]并嘧啶
• 英文名称: 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
• 英文别名: 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidine
• CAS: 126352-69-0
• 化学式: C₆H₉N₃
• mdl: MFCD08273904
• 分子量: 123.158
• InChiKey: HJFZVTDRWQVFDN-UHFFFAOYSA-N

物化性质

• 沸点：
  290℃
• 密度：
  1.33
• 闪点：
  129℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  4,5,6,7-四氢吡唑并[1,5-A]嘧啶 在 盐酸 、 乙酸酐 、 苯甲醚 、 sodium iodide 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.25h， 生成 7β-amino-3-(4,5,6,7-tetrahydro-1-pyrazolo[1,5-a]pyrimidinio)methyl-3-cephem-4-carboxylate trishydrochloride
  参考文献：
  名称：

  Studies on 3′-quaternary ammonium cephalosporins—III. Synthesis and antibacterial activity of 3′-(3-aminopyrazolium)cephalosporins

  摘要：

  The synthesis and in vitro antibacterial activity of 7 beta-[(Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido]cephalosporins bearing N-mono or dialkyl and carbamoyl aminopyrazolium, and five- or six-membered rings fused to the 3-aminopyrazolium methyl groups at the 3-position, are described. Aminopyrazolium methyl cephalosporins (23e, f, i), with fused saturated and unsaturated rings were especially effective against Staphylococcus strains compared to 3-amino-2-methylpyrazolium methyl cephalosporin (1). Among the cephalosporins prepared in this work, 7 beta-[(Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido]-3-(4,5,6,7-tetrahydro-1-pyrazolo[1,5-a]pyrimidino)methyl-3-cephem-4-carboxylate (23f) showed a good balance of antibacterial activity against both Gram-positive bacteria including Staphylococcus aureus and Gram-negative bacteria including P. aeruginosa. An imidazopyrazolium group at the 3-position in, for example, cephalosporin (23i) was particularly effective for improving antibacterial activity against MRSA. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00270-2
• 作为产物：
  描述：

  6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-5-one 在 sodium fluoride 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 4,5,6,7-四氢吡唑并[1,5-A]嘧啶
  参考文献：
  名称：

  Cephem compounds

  摘要：

  本发明涉及一种抗微生物化合物，其化学式为：##STR1##其中R.sup.1是氨基或保护氨基基团，R.sup.2是较低的烷基、较低的烯基、羧基（较低的）烷基或保护羧基（较低的）烷基，R.sup.3是氢、较低的烷基、羟基（较低的）烷基、保护羟基（较低的）烷基、氨基（较低的）烷基、保护氨基（较低的）烷基或较低的烷酰基，R.sup.4是氢、较低的烷基或较低的烷硫基，Z是N或CH或其药学上可接受的盐。

  公开号：

  US05173485A1

文献信息

• Chemical Compounds
  申请人：AstraZeneca AB

  公开号：US20160376287A1

  公开（公告）日：2016-12-29

  Provided are a series of novel pyridine or pyrimidine derivatives which inhibit CDK9 and may be useful for the treatment of hyperproliferative diseases. In particular the compounds are of use in the treatment of proliferative disease such as cancer including hematological malignancies such as acute myeloid leukemia, multiple myeloma, chronic lymphocytic leukemia, diffuse large B cell lymphoma, Burkitt's lymphoma, follicular lymphoma and solid tumors such as breast cancer, lung cancer, neuroblastoma and colon cancer.

  提供了一系列新颖的吡啶或嘧啶衍生物，可以抑制CDK9，并可能对治疗过度增殖性疾病有用。特别是这些化合物在治疗增殖性疾病方面具有用途，如癌症，包括血液恶性肿瘤，如急性髓细胞白血病，多发性骨髓瘤，慢性淋巴细胞白血病，弥漫性大B细胞淋巴瘤，Burkitt淋巴瘤，滤泡性淋巴瘤以及实体肿瘤，如乳腺癌，肺癌，神经母细胞瘤和结肠癌。
• [EN] NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS HÉTÉROCYCLIQUES UTILES EN TANT QU'INHIBITEURS DE SHP2
  申请人：JACOBIO PHARMACEUTICALS CO LTD

  公开号：WO2020063760A1

  公开（公告）日：2020-04-02

  Provided is a compound of formula I, their synthesis and their use for treating a SHP2 mediated disorder. More particularly, provided is a pharmaceutical composition comprising the said compound.

  提供的是一种化合物I的配方，它们的合成以及它们用于治疗SHP2介导的疾病。更具体地，提供的是包含该化合物的药物组合物。
• [EN] THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS<br/>[FR] DÉRIVÉS DE THIADIAZOLYLE COMME INHIBITEURS DE L'ADN POLYMÉRASE THÊTA
  申请人：IDEAYA BIOSCIENCES INC

  公开号：WO2020243459A1

  公开（公告）日：2020-12-03

  Disclosed herein are certain thiadiazolyl derivatives Formula (I): that inhibit DNA Polymerase Theta (Polθ) activity, in particular inhibit Polθ activity by inhibiting ATP dependent helicase domain activity of Polθ. Also, disclosed are pharmaceutical compositions comprising such compounds and methods of treating and/or preventing diseases treatable by inhibition of Polθ such as cancer, including homologous recombination (HR) deficient cancers.

  本文披露了某些噻二唑基衍生物 Formula (I)：它们通过抑制 DNA 聚合酶 Θ（Polθ）活性来抑制 Polθ 活性，特别是通过抑制 Polθ 的 ATP 依赖螺旋酶结构域活性来抑制 Polθ 活性。此外，还披露了包括这些化合物的药物组合物以及治疗和/或预防通过抑制 Polθ 而可治疗的疾病的方法，如癌症，包括同源重组（HR）缺陷癌症。
• [EN] HETEROBICYCLO-SUBSTITUTED-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES<br/>[FR] COMPOSÉS [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES À SUBSTITUTION HÉTÉROBICYCLIQUE AYANT DES PROPRIÉTÉS D'ANTAGONISTES DU RÉCEPTEUR A2A
  申请人：MERCK SHARP & DOHME

  公开号：WO2014105666A1

  公开（公告）日：2014-07-03

  Disclosed are compounds of Formula Gl (structurally represented): where "RG3" "Rd1" to "Rd4", "n", "m", "p", "W", "X", "Y", and "Z" are defined herein which compounds are antagonists of A2A receptor. Disclosed herein also are uses of the compounds described herein as antagonists of the A2a receptor in the potential treatment or prevention of neurological disorders and diseases in which A2A receptors are involved. Disclosed herein also are pharmaceutical compositions comprising these compounds and uses of these pharmaceutical compositions.

  揭示了Formula Gl（结构表示如下）的化合物：其中“RG3”、“Rd1”至“Rd4”、“n”、“m”、“p”、“W”、“X”、“Y”和“Z”在此处被定义，这些化合物是A2A受体的拮抗剂。本文还披露了所述化合物作为A2a受体拮抗剂在潜在的治疗或预防涉及A2A受体的神经系统疾病和疾病中的用途。本文还披露了包含这些化合物的药物组合物以及这些药物组合物的用途。
• SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES
  申请人：CHROMOCELL CORPORATION

  公开号：US20160130239A1

  公开（公告）日：2016-05-12

  Provided herein are sodium channel modulating Compounds, in particular NaV1.7 modulating compounds of Formula I or compounds of Formula I′: In particular, provided herein are processes for the preparation of, intermediates used in the preparation of, pharmaceutical compositions comprising, and therapeutic methods comprising administering such compounds. In particular, provided herein are compounds for the treatment of pain and diabetes.

  本文提供了钠通道调节化合物，特别是公式I的NaV1.7调节化合物或公式I'的化合物：特别提供了用于制备、制备中使用的中间体、包含的药物组合物以及包含给予这些化合物的治疗方法的过程。特别提供了用于治疗疼痛和糖尿病的化合物。