化工社化工社 化学情報印刷レポート · 研究参考用
HCID 178908758作成日：2026年10月26日
N2-(4-methoxyphenyl)-6-(1-piperidinylmethyl)-1,3,5-triazine-2,4-diamine
BRD32048 · BRD32048, 10 mM in DMSO · N2-(4-Methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine · 1,3,5-Triazine-2,4-diamine, N2-(4-methoxyphenyl)-6-(1-piperidinylmethyl)- · ETV1 direct binder,DNA/RNA Synthesis,ETV1 perturbagen,transcription factor,acetylation,Inhibitor,BRD32048,degradation,inhibit
https://huagongshe.com/ja/chemical/178908758
識別子と物理属性
| CAS No. | 433694-46-3 |
|---|
| 分子式 | C16H22N6O |
|---|
| 平均分子量 | 314.39 g/mol |
|---|
| SMILES | COc1ccc(Nc2nc(N)nc(CN3CCCCC3)n2)cc1 |
|---|
| InChIKey | PVHJDJWPRZUURH-UHFFFAOYSA-N |
|---|
| ChEBI | CHEBI:94308 |
|---|
化学・物理的性質
| XLogP | 2.2 |
|---|
| 極性表面積 | 89.2 |
|---|
| 水素結合供与体数 | 2 |
|---|
| 水素結合受容体数 | 7 |
|---|
| 回転可能結合数 | 5 |
|---|
| 重原子数 | 23 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 343 |
|---|
| 沸点 | 545.3±60.0 °C(Predicted) |
|---|
| 密度 | 1.268±0.06 g/cm3(Predicted) |
|---|
| 貯蔵条件 | 2-8°C |
|---|
| 溶解度 | DMF: 30 mg/mlDMSO: 30 mg/mlDMSO:PBS (pH 7.2) (1:1): 0.5 mg/mlEthanol: 2 mg/ml |
|---|
| 外観・状態 | A crystalline solid |
|---|
| pKa（酸解離定数） | 7.87±0.10(Predicted) |
|---|
| 色 | White to off-white |
|---|
| InChI | 1S/C16H22N6O/c1-23-13-7-5-12(6-8-13)18-16-20-14(19-15(17)21-16)11-22-9-3-2-4-10-22/h5-8H,2-4,9-11H2,1H3,(H3,17,18,19,20,21) |
|---|
| InChIKey | PVHJDJWPRZUURH-UHFFFAOYSA-N |
|---|
| SMILES | NC1=NC(NC2=CC=C(OC)C=C2)=NC(CN3CCCCC3)=N1 |
|---|
安全性と法規制
| 水環境危害等級（WGK） | WGK 3 |
|---|
| 貯蔵分類 | 11 - Combustible Solids |
|---|
用途
説明
ETS variant 1 (ETV1) is a transcription factor oncogene implicated in several cancers where it has been altered by chromosomal translocation, gene amplification, or lineage dysregulation. The ETV1 transcription factor is phosphorylated downstream of MAPK signaling and is acetylated at lysines 33 and 116 by the histone acetyltransferase p300. Both of these events increase the protein half-life of ETV1 and enhance its transcriptional activity. BRD32048 is a substituted [1,3,5]triazine derivative that inhibits ETV1 transcriptional activity by binding to ETV1 (KD = 17.1 μM in vitro), which reduces p300-dependent acetylation and stability of ETV1 and, thereby, promotes its degradation. At 20-100 μM, BRD32048 can dose-dependently prevent invasion of ETV1-reliant cancer cells in in vitro models.
