Name: SD-36 TFA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218701225
Cas No:
常用名:SD-36 TFA
别名:SD-36 TFA(2429877-44-9 Free base), SD36 TFA, SD 36 TFA
别名:SD-36 TFA(2429877-44-9 Free base), SD36 TFA, SD 36 TFA
IUPAC:[(2-{[(5S,8S,10aR)-8-{[(1S)-3-carbamoyl-1-[(diphenylmethyl)carbamoyl]propyl]carbamoyl}-3-{8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]oct-7-ynoyl}-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)difluoromethyl]phosphonic acid; trifluoroacetic acid
IUPAC:[(2-{[(5S,8S,10aR)-8-{[(1S)-3-carbamoyl-1-[(diphenylmethyl)carbamoyl]propyl]carbamoyl}-3-{8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]oct-7-ynoyl}-6-oxo-decahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)difluoromethyl]phosphonic acid; trifluoroacetic acid
InChI key:LHUSPNQXUKCBQO-FJYSPONPSA-N

分子式:C61H63F5N9O14P
分子量:1272.19
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1
SMILES:OC(=O)C(F)(F)F.[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1

SD-36 TFA 是一种具有选择性和高效性的 STAT3 降解剂，Kd 值约为50 nM。SD-36 具有抗癌抗肿瘤活性，可分解细胞中突变的 STAT3 蛋白，抑制 STAT3 的转录。SD-36 通过抑制神经胶质瘤中的 Mcl-1 促进生长抑制并诱导细胞凋亡。

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