수16f
수16f · SU 16f · SU16f, 10 mM in DMSO · PDGFR Tyrosine Kinase Inhibitor VII · PDGFR Tyrosine Kinase Inhibitor VII - CAS 251356-45-3 - Calbiochem · (Z)-3-(2,4-Dimethyl-5-((2-oxo-6-phenylindolin-3-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid · 5-[1,2-Dihydro-2-oxo-6-phenyl-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-propanoicacid · 1H-Pyrrole-3-propanoic acid, 5-[(1,2-dihydro-2-oxo-6-phenyl-3H-indol-3-ylidene)methyl]-2,4-dimethyl-
식별자 및 물리적 특성
| CAS No. | 251356-45-3 |
|---|---|
| 분자식 | C24H22N2O3 |
| 평균 분자량 | 386.4 g/mol |
| 단동위원소 질량 | 386.16304257 g/mol |
| SMILES | Cc1[nH]c(C=C2C(=O)Nc3cc(-c4ccccc4)ccc32)c(C)c1CCC(=O)O |
| InChIKey | APYYTEJNOZQZNA-UHFFFAOYSA-N |
| PubChem CID | 53396310 |
| DTXSID | DTXSID90694250 |
| 현지명 | 수16f |
화학 및 물리적 성질
| XLogP | 3.9 |
|---|---|
| 극성 표면적 | 82.2 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 29 |
| 형식 전하 | 0 |
| 복잡도 | 655 |
| 끓는 점 | 661.7±55.0 °C(Predicted) |
| 밀도 | 1.292±0.06 g/cm3(Predicted) |
| 저장 조건 | Store at RT |
| 용해도 | Soluble to 100 mM in DMSO |
| 물리적 상태 | 진한 주황색 고체 |
| pKa(산도 계수) | 4+-.0.10(Predicted) |
| 색상 | Yellow to orange |
| InChI | 1S/C24H22N2O3/c1-14-18(10-11-23(27)28)15(2)25-21(14)13-20-19-9-8-17(12-22(19)26-24(20)29)16-6-4-3-5-7-16/h3-9,12-13,25H,10-11H2,1-2H3,(H,26,29)(H,27,28)/b20-13- |
| InChIKey | APYYTEJNOZQZNA-MOSHPQCFSA-N |
안전 및 규제
| 수질 위해 등급(WGK) | WGK 1 |
|---|---|
| 저장 분류 | 11 - Combustible Solids |
용도
용도
SU 16f is used in the synthetic preparation of [(Dihydrooxoindolylidene)methyl]pyrrolepropanoic Acid as a tyrosine kinase inhibitor.
일반 설명
A cell-permeable indolinone compound that acts as a potent, ATP site-targeting PDGFR inhibitor (IC50 = 10 nM against PDGFRβ), while affecting Flk-1/KDR/ VEGFR2, FGFR1, and EGFR only at much higher concentrations (IC50 = 0.14, 2.29, and >100 μM, respectively). Reported to selectively inhibit PDGFβ- over EGF-stimulated proliferation in EGFR-expressing NIH 3T3 cultures (IC50 = 0.11 and 21.9 μM, respectively) and exhibit much weaker potency against the proliferation of HUVEC cells upon FGF or VEGF stimulation (IC50 = 10 μM).