Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 178908758생성일: 2026년 10월 26일
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/ko/chemical/178908758
식별자 및 물리적 특성
| CAS No. | 433694-46-3 |
|---|
| 분자식 | C16H22N6O |
|---|
| 평균 분자량 | 314.39 g/mol |
|---|
| SMILES | COc1ccc(Nc2nc(N)nc(CN3CCCCC3)n2)cc1 |
|---|
| InChIKey | PVHJDJWPRZUURH-UHFFFAOYSA-N |
|---|
| ChEBI | CHEBI:94308 |
|---|
화학 및 물리적 성질
| XLogP | 2.2 |
|---|
| 극성 표면적 | 89.2 |
|---|
| 수소 결합 공여자 수 | 2 |
|---|
| 수소 결합 수용자 수 | 7 |
|---|
| 회전 가능 결합 수 | 5 |
|---|
| 무거운 원자 수 | 23 |
|---|
| 형식 전하 | 0 |
|---|
| 복잡도 | 343 |
|---|
| 끓는 점 | 545.3±60.0 °C(Predicted) |
|---|
| 밀도 | 1.268±0.06 g/cm3(Predicted) |
|---|
| 저장 조건 | 2-8°C |
|---|
| 용해도 | DMF: 30 mg/mlDMSO: 30 mg/mlDMSO:PBS (pH 7.2) (1:1): 0.5 mg/mlEthanol: 2 mg/ml |
|---|
| 물리적 상태 | 결정성 고체 |
|---|
| pKa(산도 계수) | 7.87±0.10(Predicted) |
|---|
| 색상 | 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 |
|---|
안전 및 규제
| 수질 위해 등급(WGK) | WGK 3 |
|---|
| 저장 분류 | 11 - Combustible Solids |
|---|
용도
개요
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.
