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经验公式(希尔记法):
C22H20F2N4O2
化学文摘社编号:
分子量:
410.42
MDL number:
UNSPSC Code:
12352200
NACRES:
NA.77
SMILES string
Fc1c(cc(cc1)CNC(=O)c2ncnc(c2)C(=O)NCc3cc(c(cc3)F)C)C
InChI
1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)
InChI key
PYFRREJCFXFNRR-UHFFFAOYSA-N
assay
≥98% (HPLC)
form
solid
manufacturer/tradename
Calbiochem®
storage condition
OK to freeze, protect from light
color
light yellow
solubility
DMSO: 10 mg/mL
shipped in
ambient
Quality Level
相关类别
General description
MMP-13活性的强效抑制剂(IC50=8 nM),并通过构象结构分析确定对MMP-1,-2,-3,-7,-8,-9,-10,-12,-14和-16具有预期的选择性。显示与MMP-13催化结构域结合并充当非锌螯合抑制剂。
一种嘧啶二甲酰胺化合物,可有效抑制MMP-13活性(IC50=8 nM),并通过构象结构分析确定对MMP-1,-2,-3,-7,-8,-9,-10,-12,-14和-16具有预期的选择性。显示与MMP-13催化结构域结合并充当非锌螯合抑制剂。
Biochem/physiol Actions
主要靶标
MMP-13活性
MMP-13活性
产物不与ATP竞争。
可逆:否
细胞渗透性:否
靶标IC50:MMP-13为8 nM
Packaging
用惰性气体包装
Preparation Note
使用前立即用缓冲液进一步稀释。
复溶后,等分并冷冻保存(-20°C)。贮备液在-20°C下可稳定保存至多6个月。
Other Notes
Engel, C.K., et al. 2005.Chem. Biol.12, 181.
Legal Information
CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany
Disclaimer
毒性:标准处理(A)
存储类别
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
Christian K Engel et al.
Chemistry & biology, 12(2), 181-189 (2005-03-01)
Inhibitors for matrix metalloproteinases (MMPs) are under investigation for the treatment of cancer, arthritis, and cardiovascular disease. Here, we report a class of highly selective MMP-13 inhibitors (pyrimidine dicarboxamides) that exhibit no detectable activity against other MMPs. The high-resolution X-ray
Spenser S Smith et al.
eLife, 11 (2022-06-07)
Precise developmental control of jaw length is critical for survival, but underlying molecular mechanisms remain poorly understood. The jaw skeleton arises from neural crest mesenchyme (NCM), and we previously demonstrated that these progenitor cells express more bone-resorbing enzymes including Matrix
Kristina Viiklepp et al.
The Journal of investigative dermatology (2021-11-11)
Cutaneous squamous cell carcinoma (cSCC) is the most common metastatic skin cancer with increasing incidence worldwide. Previous studies have demonstrated the role of complement system in cSCC progression. In this study we have investigated the mechanistic role of serine protease
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