565788
β-分泌酶抑制剂 IV
≥98% (HPLC), solid, β-secretase inhibitor, Calbiochem®
别名:
β-分泌酶抑制剂 IV
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选择尺寸
关于此项目
经验公式（希尔记法）:
C31H38N4O5S
化学文摘社编号:
分子量:
578.72
MDL number:
UNSPSC Code:
12352200
NACRES:
NA.77
产品名称
β-分泌酶抑制剂 IV, β-Secretase Inhibitor IV, CAS 797035-11-1, is a cell-permeable inhibitor that binds to BACE-1 active site and blocks its proteolytic activity (IC50 = 15 nM for human BACE-1).
SMILES string
[S](=O)(=O)(N(C)c1cc(cc(c1)C(=O)N[C@H](C)c4ccccc4)C(=O)N[C@H]([C@H](O)CNC3CC3)Cc2ccccc2)C
InChI
1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1
InChI key
VPNIQGRFZCTBEZ-SPTGULJVSA-N
assay
≥98% (HPLC)
form
solid
manufacturer/tradename
Calbiochem®
storage condition
OK to freeze
protect from light
color
white
solubility
DMSO: 100 mg/mL
shipped in
ambient
storage temp.
2-8°C
Quality Level
Biochem/physiol Actions
主靶
BACE-1人
BACE-1人
产物不与ATP竞争。
可逆：否
细胞可渗透性：是
靶标IC50：BACE-1，人为15 nM，在HEK293-APPNFEV细胞中的sAPP_NF为29 nM
Disclaimer
毒性：标准处理（A）
General description
一种细胞渗透性间苯二甲酰胺化合物，含有羟乙基胺基序，与BACE-1活性位点结合并能有效阻断其蛋白水解活性（BACE-1，人的IC50 = 15 nM，在HEK293-APPAPPNFEV细胞中sAPP_NF的IC50=29 nM）。显示出比其他天冬氨酰蛋白酶更高的选择性（BACE-2、组织蛋白酶D和肾素的IC50分别为0.23 µM、7.6 µM和>50 µM）。也可提供10 mM的DMSO溶液形式（目录号565794）。请注意，由于水含量的变化，该化合物的分子量因批次而异。
Other Notes
Halima, S.B., et al. 2016.Cell Reports.14, In press.
Stachel, S.J., et al. 2004.J. Med. Chem.47, 6447.
Stachel, S.J., et al. 2004.J. Med. Chem.47, 6447.
在DMSO（10 mg/ml）中溶解，等分&贮藏在-20℃下；可稳定3个月。
Packaging
用惰性气体包装
Preparation Note
复溶后，等分并冷冻保存（-20°C）。贮备溶液在-20°C下可稳定保存至多3个月。
Legal Information
CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany
存储类别
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
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