Name: SD-436
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219201048
Cas No:2497585-50-7
常用名:SD-436
别名:SD436
IUPAC:[(2-{[(5S,8S,10aR)-8-{[(1S)-3-carbamoyl-1-{[(2S)-3-(3,4-difluorophenyl)-1-(4-{4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]but-3-yn-1-yl}piperidin-1-yl)-1-oxopropan-2-yl]carbamoyl}propyl]carbamoyl}-3-(methoxycarbonyl)-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1-benzothiophen-5-yl)difluoromethyl]phosphonic acid
IUPAC:[(2-{[(5S,8S,10aR)-8-{[(1S)-3-carbamoyl-1-{[(2S)-3-(3,4-difluorophenyl)-1-(4-{4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]but-3-yn-1-yl}piperidin-1-yl)-1-oxopropan-2-yl]carbamoyl}propyl]carbamoyl}-3-(methoxycarbonyl)-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1-benzothiophen-5-yl)difluoromethyl]phosphonic acid
InChI key:FLMMCKAIYLDKIN-PBKIRHPCSA-N

分子式:C58H62F4N9O14PS
分子量:1248.21
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)OC)NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N1CCC(CCC#Cc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)CC1
SMILES:[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)OC)NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N1CCC(CCC#Cc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)CC1

SD-436 是一种选择性和高效的STAT3 PROTAC降解剂 (DC50=0.5 μM)，其对STAT3的IC50=19 nM，远高于STAT1/4/5/6。SD-436在小鼠白血病和淋巴瘤异种移植模型中，消耗STAT3并且使肿瘤消退。

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