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upamostat, 纤溶酶原激活物抑制剂;尿激酶

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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
U614669-5mg
5mg 期货 Stock Image
U614669-25mg
25mg 期货 Stock Image

基本描述

别名 乌帕莫司他
英文别名 WX-671
规格或纯度 Moligand™
英文名称 upamostat
作用类型 抑制剂
作用机制 纤溶酶原激活物抑制剂;尿激酶

关联靶点(人)

PLAU Tchem 尿激酶型纤溶酶原激活剂(Urokinase-type plasminogen activator) (0 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)

名称和识别符

分子类型 小分子
IIUPAC Name ethyl 4-[(2S)-3-[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoyl]piperazine-1-carboxylate
INCHI 1S/C32H47N5O6S/c1-8-43-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34-40)35-44(41,42)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35,40H,8,12-15,17H2,1-7H3,(H2,33,34)/t28-/m0/s1
InChi Key HUASEDVYRABWCV-NDEPHWFRSA-N
Smiles CCOC(=O)N1CCN(CC1)C(=O)C(CC2=CC(=CC=C2)C(=NO)N)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C
Isomeric SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC(=CC=C2)/C(=N/O)/N)NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C
PubChem CID 9830667
MeSH Entry Terms Mesupron;RHB-107;upamostat;WX-671

化学和物理性质

分子量 629.800 g/mol
XLogP3 5.000
氢键供体数Hydrogen Bond Donor Count 3
氢键受体数Hydrogen Bond Acceptor Count 8
可旋转键计数Rotatable Bond Count 12
精确质量Exact Mass 629.325 Da
单同位素质量Monoisotopic Mass 629.325 Da
拓扑极表面积Topological Polar Surface Area 163.000 Ų
重原子数Heavy Atom Count 44
形式电荷Formal Charge 0
复杂度Complexity 1070.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 1
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 1
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 1
共价键合单元计数Covalently-Bonded Unit Count 1

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:

引用文献

1. Ertongur S, Lang S, Mack B, Wosikowski K, Muehlenweg B, Gires O.  (2004)  Inhibition of the invasion capacity of carcinoma cells by WX-UK1, a novel synthetic inhibitor of the urokinase-type plasminogen activator system..  Int J Cancer,  110  (6): (815-24).  [PMID:15170662]
2. Setyono-Han B, Stürzebecher J, Schmalix WA, Muehlenweg B, Sieuwerts AM, Timmermans M, Magdolen V, Schmitt M, Klijn JG, Foekens JA.  (2005)  Suppression of rat breast cancer metastasis and reduction of primary tumour growth by the small synthetic urokinase inhibitor WX-UK1..  Thromb Haemost,  93  (4): (779-86).  [PMID:15841327]
3. Meyer JE, Brocks C, Graefe H, Mala C, Thäns N, Bürgle M, Rempel A, Rotter N, Wollenberg B, Lang S.  (2008)  The Oral Serine Protease Inhibitor WX-671 - First Experience in Patients with Advanced Head and Neck Carcinoma..  Breast Care (Basel),  (s2): (20-24).  [PMID:20824010]
4. Froriep D, Clement B, Bittner F, Mendel RR, Reichmann D, Schmalix W, Havemeyer A.  (2013)  Activation of the anti-cancer agent upamostat by the mARC enzyme system..  Xenobiotica,  43  (9): (780-4).  [PMID:23379481]
5. Heinemann V, Ebert MP, Laubender RP, Bevan P, Mala C, Boeck S.  (2013)  Phase II randomised proof-of-concept study of the urokinase inhibitor upamostat (WX-671) in combination with gemcitabine compared with gemcitabine alone in patients with non-resectable, locally advanced pancreatic cancer..  Br J Cancer,  108  (4): (766-70).  [PMID:23412098]

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