4-Nitro-3,5-dimethyl-1-(2-carboxyethyl)-pyrazol | 90091-28-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 4-Nitro-3,5-dimethyl-1-(2-carboxyethyl)-pyrazol
• 英文别名: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-propionic acid；3-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propionsaeure；3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoic acid；3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoic acid
• CAS: 90091-28-4
• 化学式: C₈H₁₁N₃O₄
• mdl: MFCD00455794
• 分子量: 213.193
• InChiKey: VGKCUVQITAZDAF-UHFFFAOYSA-N

物化性质

• 沸点：
  400.1±45.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933199090

反应信息

• 作为产物：
  描述：

  3,5-二甲基-4-硝基吡唑 、 丙烯酸 生成 4-Nitro-3,5-dimethyl-1-(2-carboxyethyl)-pyrazol
  参考文献：
  名称：

  Conjugate Addition Reactions of Azoles. II. 1,2,4-Triazole, Tetrazole, Nitropyrazoles and Benzotriazole

  摘要：

  DOI：

  10.1021/ja01614a074

文献信息

• IDO Inhibitors
  申请人：Mautino Mario

  公开号：US20110053941A1

  公开（公告）日：2011-03-03

  Presently provided are methods for (a) modulating an activity of indoleamine 2,3-dioxygenase comprising contacting an indoleamine 2,3-dioxygenase with a modulation effective amount of a compound as described in one of the aspects described herein; (b) treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression in a subject in need thereof, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (c) treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine-2,3-dioxygenase comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; (d) enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent and a compound as described in one of the aspects described herein; (e) treating tumor-specific immunosuppression associated with cancer comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount of a compound as described in one of the aspects described herein; and (f) treating immunosuppression associated with an infectious disease, e.g., HIV-I infection, comprising administering an effective indoleamine 2,3-dioxygenase inhibiting amount a compound as described in one of the aspects described herein.

  目前提供以下方法：(a) 通过接触本文中描述的化合物的调节有效量与吲哚胺2,3-二氧化酶相互作用，从而调节吲哚胺2,3-二氧化酶的活性；(b) 治疗需要吲哚胺2,3-二氧化酶(IDO)介导的免疫抑制的患者，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量；(c) 治疗需要抑制吲哚胺-2,3-二氧化酶酶活性的医疗状况，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量；(d) 增强抗癌治疗的有效性，包括给予抗癌剂和本文中描述的化合物；(e) 治疗与癌症相关的肿瘤特异性免疫抑制，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量；(f) 治疗与传染病相关的免疫抑制，例如HIV-1感染，包括给予本文中描述的化合物的有效吲哚胺2,3-二氧化酶抑制剂量。
• Conjugate Addition Reactions of Azoles. II. 1,2,4-Triazole, Tetrazole, Nitropyrazoles and Benzotriazole
  作者：Richard H. Wiley、N. R. Smith、David M. Johnson、James Moffat

  DOI：10.1021/ja01614a074

  日期：1955.5