Name: UK140
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251096
Cas No:
常用名:UK140
IUPAC:2-{[(7R,10S,13S,16S,22S,25S,31R,37S,40S,43S,46S,49S,52R)-43-(4-aminobutyl)-52-[(2S)-2-aminopropanamido]-40-benzyl-49-(carbamoylmethyl)-22-(carboxymethyl)-10,13,37,46-tetrakis(hydroxymethyl)-9,12,15,21,24,27,30,33,36,39,42,45,48,51-tetradecaoxo-25-(propan-2-yl)-5,54,59-trithia-8,11,14,20,23,26,29,32,35,38,41,44,47,50-tetradecaazatetracyclo[29.26.3.1^{3,56}.0^{16,20}]henhexaconta-1(57),2,56(61)-trien-7-yl]formamido}acetic acid
IUPAC:2-{[(7R,10S,13S,16S,22S,25S,31R,37S,40S,43S,46S,49S,52R)-43-(4-aminobutyl)-52-[(2S)-2-aminopropanamido]-40-benzyl-49-(carbamoylmethyl)-22-(carboxymethyl)-10,13,37,46-tetrakis(hydroxymethyl)-9,12,15,21,24,27,30,33,36,39,42,45,48,51-tetradecaoxo-25-(propan-2-yl)-5,54,59-trithia-8,11,14,20,23,26,29,32,35,38,41,44,47,50-tetradecaazatetracyclo[29.26.3.1^{3,56}.0^{16,20}]henhexaconta-1(57),2,56(61)-trien-7-yl]formamido}acetic acid
InChI key:JIESVEDAJWGEQN-YURWQWMPSA-N

分子式:C72H105N19O25S3
分子量:1732.92
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC1=O)C(=O)NCC(O)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N2)c3
SMILES:CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC1=O)C(=O)NCC(O)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N2)c3

UK140 是一种尿激酶型纤溶酶原激活剂 (uPA) 的抑制剂，其 Ki 值对 huPA 为 0.20 µM，对 muPA 为 2.79 µM。UK140 可用于研究与肿瘤转移相关的课题。

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