2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one
2-(2-AMINO-3-METHOXYPHENYL)-4H-CHROMEN-4-ONE · CS-398 · PD 98059 · PD090859 · PD 98,59 · PD 098,059 · PD 98059 NEW · PD 98059, 99+%
식별자 및 물리적 특성
| CAS No. | 167869-21-8 |
|---|---|
| 분자식 | C16H13NO3 |
| 평균 분자량 | 267.28 g/mol |
| 단동위원소 질량 | 267.08954328 g/mol |
| SMILES | COc1cccc(-c2cc(=O)c3ccccc3o2)c1N |
| InChIKey | QFWCYNPOPKQOKV-UHFFFAOYSA-N |
| PubChem CID | 4713 |
| ChEMBL | CHEMBL35482 |
| ChEBI | CHEBI:77954 |
| EC No. | 620-943-7 |
| DTXSID | DTXSID40168416 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 61.6 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 407 |
| 녹는점 | 164~165℃ |
| 끓는 점 | 453.1±45.0 °C(Predicted) |
| 밀도 | 1.300±0.06 g/cm3(Predicted) |
| 저장 조건 | -20°C |
| 용해도 | 에탄올: 0.6mg/mL |
| pKa(산도 계수) | 1.21±0.10(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 노란색 |
| 안정성 | 최대 3개월 동안 -20°의 DMSO에 보관 |
| InChI | InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3 |
| InChIKey | QFWCYNPOPKQOKV-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CC(OC)=C2N)OC2=CC=CC=C2C(=O)C=1 |
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2811 6.1/PG 3 |
| 관세 코드 | 29322090 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 22-60-36 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
PD 98059 is a noncompetitive inhibitor of the MAPK pathway. It prevents the activation of MEK by Raf or MEK kinase (a MAP3K) with an IC50 value of 2-7 μM but does not inhibit Raf-activated MAP2K1. It inhibits Raf activation of MAP2K2 with an IC50 value of 50 μM. PD 98059 also phosphorylates and activates AMP-activated protein kinase (AMPK) in a dose-dependent manner (EC50 = 35 μM in HEK293 cells). It increases the ratios of ADP to ATP and AMP to ATP and increases phosphorylation of the AMPK target acetyl-CoA carboxylase (ACC).
용도
PD 98059 is a selective inhibitor of MEK and blocker of MAPK.
일반 설명
Selective, reversible, and cell-permeable inhibitor of MAP kinase kinase (MEK) that acts by inhibiting the activation of MAP kinase and subsequent phosphorylation of MAP kinase substrates. Pretreatment of PC-12 cells with PD 98059 completely blocks the 4-fold increase in MAP kinase activity produced by nerve growth factor (NGF; IC50 = 2 μM); however, it has no effect on NGF-dependent tyrosine phosphorylation of the p140trk receptor or its substrate Shc and does not block NGF-dependent activation of PI 3-kinase. Blocks LPS-induced activation of TNF-α gene expression. Inhibits cell growth and reverses the phenotype of ras-transformed BALB3T3 mouse fibroblasts and rat kidney cells. A 5 mg/ml solution of PD 98059 (Cat. No. 513001) in anhydrous DMSO is also available.