Name: QCA570
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212080513
Cas No:2207569-08-0
常用名:QCA570
IUPAC:3-(4-{5-[4-(2-{5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-4-yl}ethynyl)-1H-pyrazol-1-yl]pent-1-yn-1-yl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
IUPAC:3-(4-{5-[4-(2-{5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-4-yl}ethynyl)-1H-pyrazol-1-yl]pent-1-yn-1-yl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
InChI key:RTVTYLRQKKDYMQ-UHFFFAOYSA-N

分子式:C39H33N7O4S
分子量:695.8
氢键供体数 (HBD):1
氢键受体数 (HBA):7
LogP:4.3981695
SMILES:Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(CCCC#Cc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)c1
SMILES:Cc1nnc2COCc3c(Cc4ccccc4)c(sc3-n12)C#Cc1cnn(CCCC#Cc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)c1

QCA570 is an effective BET degrader based on PROTAC (IC50: 10 nM for BRD4 BD1 Protein).

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