2-异丙基氨基烟酸 | 885275-12-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-异丙基氨基烟酸
• 英文名称: 2-(isopropylamino)nicotinic acid
• 英文别名: 2-(propan-2-ylamino)pyridine-3-carboxylic acid
• CAS: 885275-12-7
• 化学式: C₉H₁₂N₂O₂
• mdl: MFCD04115113
• 分子量: 180.206
• InChiKey: JCVLLXCQDAXHGN-UHFFFAOYSA-N

物化性质

• 沸点：
  344.0±27.0 °C(Predicted)
• 密度：
  1.217±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-异丙基氨基烟酸 在 sodium hydroxide 、 lithium aluminium tetrahydride 、 氯化亚砜 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 56.0h， 生成 1,3-dihydro-1-(methylethyl)-3-(phenylthio)-2H-pyrrolo[2,3-b]pyridin-2-one
  参考文献：
  名称：

  Substituted 1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-ones as potential antiinflammatory agents

  摘要：

  A series of analogues based on the 1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one ring system have been synthesized and shown to possess oral antiinflammatory activity in both the reverse passive Arthus reaction (RPAR) pleural cavity assay in rats and in the adjuvant-induced arthritic rat model (AAR). Several members of this series additionally exhibit an inhibitory effect on the in vivo production of prostaglandin- and leukotriene-derived products or arachidonic acid metabolism although these compounds exhibit no significant inhibitory activity against the cyclooxygenase and 5-lipoxygenase enzymes in vitro. Structure-activity relationships in this series are discussed.

  DOI：

  10.1021/jm00172a004
• 作为产物：
  描述：

  2-氯烟酸 、 异丙胺 在 吡啶 、 对甲苯磺酸 作用下， 以 水 为溶剂， 生成 2-异丙基氨基烟酸
  参考文献：
  名称：

  Substituted 1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-ones as potential antiinflammatory agents

  摘要：

  A series of analogues based on the 1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one ring system have been synthesized and shown to possess oral antiinflammatory activity in both the reverse passive Arthus reaction (RPAR) pleural cavity assay in rats and in the adjuvant-induced arthritic rat model (AAR). Several members of this series additionally exhibit an inhibitory effect on the in vivo production of prostaglandin- and leukotriene-derived products or arachidonic acid metabolism although these compounds exhibit no significant inhibitory activity against the cyclooxygenase and 5-lipoxygenase enzymes in vitro. Structure-activity relationships in this series are discussed.

  DOI：

  10.1021/jm00172a004

文献信息

• [EN] HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS<br/>[FR] COMPOSÉS AMINOPYRIDINE SUBSTITUÉS PAR UN HÉTÉROARYLE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2016210036A1

  公开（公告）日：2016-12-29

  Disclosed are compounds of Formula (I) Formula(I) or salts thereof, wherein HET is a heteroaryl selected from oxazolyl, pyrazolyl, imidazo[l,2-b]pyridazin-3-yl, and pyrazolo[l,5-a]pyrimidin-3-yl, wherein said heteroaryl is attached to the pyridinyl group in the compound of Formula (I) by a carbon ring atom in the heteroaryl and wherein said heteroaryl is substituted with zero to 2 Rb; and R1, R3, and Rb are define herein. Also disclosed are methods of using such compounds as modulators of IRAK4, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing inflammatory and autoimmune diseases, or in the treatment of cancer.

  公开的是Formula(I)的化合物或其盐，其中HET是从噁唑基、吡唑基、咪唑并[1,2-b]吡啶-3-基和吡唑并[1,5-a]嘧啶-3-基中选择的杂芳基，其中所述杂芳基通过杂芳基中的一个碳环原子连接到Formula(I)化合物中的吡啶基，并且所述杂芳基被取代为零至2个Rb；R1、R3和Rb在此处定义。还公开了将这些化合物用作IRAK4调节剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓炎症性和自身免疫性疾病，或治疗癌症方面是有用的。
• [EN] TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROARYLE TRICYCLIQUES UTILES EN TANT QU'INHIBITEURS D'IRAK 4
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2021158498A1

  公开（公告）日：2021-08-12

  Disclosed are compounds of Formulas (I) or (II) or a salt thereof, wherein X, R1, R2, R3, and n are defined herein. Also disclosed are methods of using such compounds as modulators of IRAK4, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing inflammatory and autoimmune diseases, or in the treatment of cancer.

  本发明涉及公式（I）或（II）的化合物或其盐，其中X，R1，R2，R3和n如本文所定义。本发明还涉及使用这些化合物作为IRAK4调节剂的方法，以及包含这些化合物的药物组合物。这些化合物可用于治疗、预防或减缓炎症性和自身免疫性疾病，或用于治疗癌症。
• P2X4 receptor antagonist
  申请人：NIPPON CHEMIPHAR CO., LTD.

  公开号：US10150744B2

  公开（公告）日：2018-12-11

  The present invention relates to a compound represented by the following general formula (I), which has a P2X4 receptor antagonistic activity (in the formula, R1, R2 and R3 represent hydrogen atom, an alkyl group having 1 to 8 carbon atoms, an alkoxy group having 1 to 8 carbon atoms, a halogen atom, and the like, X represents C or N, Y represents N or C(═O), provided that when X is C, Y represents N, and when X is N, Y represents C(═O), the double line consisting of the solid line and the broken line represents a single bond or double bond, n represents an integer of 0 to 6, Z represents O, S, or an atomic bond, and A represents benzene ring, pyridine ring, and the like).

  本发明涉及由以下通式(I)代表的化合物，该化合物具有P2X4受体拮抗活性(式中，R1、R2和R3代表氢原子、具有1至8个碳原子的烷基、具有1至8个碳原子的烷氧基、卤素原子等，X代表C或N、Y代表N或C(═O)，条件是当X为C时，Y代表N，当X为N时，Y代表C(═O)，实线和折线组成的双线代表单键或双键，n代表0至6的整数，Z代表O、S或原子键，A代表苯环、吡啶环等）。
• P2X4 RECEPTOR ANTAGONIST
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3020707B1

  公开（公告）日：2019-08-21
• TING, PAULINE C.;KAMINSKI, JAMES J.;SHERLOCK, MARGARET H.;TOM, WING C.;LE+, J. MED. CHEM., 33,(1990) N0, C. 2697-2706
  作者：TING, PAULINE C.、KAMINSKI, JAMES J.、SHERLOCK, MARGARET H.、TOM, WING C.、LE+

  DOI：——

  日期：——