N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
基本情報
- CAS
285986-31-4- 標準SMILES
O=C(NN=Cc1coc2ccccc2c1=O)c1cccnc1- InChIKey
DAVIKTBRCQWOGT-UHFFFAOYSA-N- 分子式
- C16H11N3O3
- 平均分子量
- 293.28 g/mol
- 単同位体質量
- 293.08004122
名称と識別子
- 優先名称
- N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
- IUPAC
- N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
- 英語名
- STAT5 Inhibitor
- 分子式
- C16H11N3O3
- 分子量
- 293.28
名称と別名
N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamideSCHEMBL2563929N'-[(E)-(4-oxo-4H-chromen-3-yl)methylidene]pyridine-3-carbohydrazideDTXSID9010347783-(nicotinoylhydrazonomethyl)chromoneS6784Q27159809N'-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]pyridine-3-carbohydrazide3-Pyridinecarboxylic acid, 2-[(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazideMDK6314CS-2509STAT5-IN-1
名称をさらに表示
STAT5 InhibitorSTAT5 Inhibitor 1STAT5-IN-1 ，S6784STAT5-IN-1, 10 mM in DMSOStat5 Inhibitor(STAT5-IN-1)N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazideSTAT-5-IN-1,STAT5IN1,inhibit,STAT5 IN 1,Inhibitor,STAT
データベース識別子
- CAS
285986-31-4- PubChem CID
- 2726045
- DTXSID
DTXSID901034778
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 80.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 501
物理化学的性質
- 融点
- 214 · 214-216 °C
- 比重(密度)
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C(protect from light)
- 溶解性
- 9.58 mg/mL · ≥9.58 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
- 外見
- crystalline solid
- 酸解離定数(Pka)
- 10.44 · 10.44±0.46(Predicted)
- 色
- White to light yellow
- InChI
- InChI=1S/C16H11N3O3/c20-15-12(10-22-14-6-2-1-5-13(14)15)9-18-19-16(21)11-4-3-7-17-8-11/h1-10H,(H,19,21)
- InChIKey
- DAVIKTBRCQWOGT-UHFFFAOYSA-N
- SMILES
- C1=NC=CC=C1C(NN=CC1C(=O)C2=CC=CC=C2OC=1)=O
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- wgk
- WGK 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
説明Signal Transducers and Activators of Transcriptions (STATs) are a family of cytoplasmic latent transcription factors that are activated to regulate gene expression in response to a large number of extracellular signaling polypeptides including cytokines, interferons, and growth factors. STAT5, which consists of two isoforms STAT5α and STAT5β, is known to be overactive in several kinds of leukemias and various solid tumors. STAT5 Inhibitor is a cell-permeable, nonpetidic nicotinoyl hydrazone that suppresses STAT5 by targeting its SH2 domain (IC50 = 47 μM against STAT5β SH2 domain EPO peptide binding activity). Comparatively, this compound exhibits reduced potency towards inhibiting the SH2 domain of STAT1, STAT3, or Lck (IC50 > 500 μM). STAT5 Inhibitor has been shown to block STAT5/STAT5 DNA binding in K562 nuclear extracts.
使用2-[(4-Oxo-4H-1-benzopyran-3-yl)methylene]hydrazide-3-pyridinecarboxylic Acid is a selective inhibitor of STAT5.
補足説明
定義ChEBI: A carbohydrazide that is nicotinohydrazide in which the terminal nitrogen has undergone formal condensation with the aldehyde group of 4-oxo-4H-chromene-3-carbaldehyde. It is an inhibitor of STAT5 (Signal Transducer and Activator of Tran cription 5) protein.
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…