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About This Item
经验公式(希尔记法):
C10H16N2O2
CAS号:
分子量:
196.25
MDL编号:
UNSPSC代码:
12352005
PubChem化学物质编号:
NACRES:
NA.22
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方案
97%
旋光性
[α]20/D −105.5°, c = 1 in chloroform
mp
33-36 °C (lit.)
SMILES字符串
CC(C)(C)OC(=O)N1CCC[C@H]1C#N
InChI
1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-6H2,1-3H3/t8-/m0/s1
InChI key
MDMSZBHMBCNYNO-QMMMGPOBSA-N
应用
用于合成脯氨酰寡肽酶抑制剂。
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
230.0 °F - closed cup
闪点(°C)
110 °C - closed cup
个人防护装备
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
法规信息
新产品
Janice Lawandi et al.
Journal of medicinal chemistry, 52(21), 6672-6684 (2009-11-06)
Prolyl oligopeptidases cleave peptides on the carboxy side of internal proline residues and their inhibition has potential in the treatment of human brain disorders. Using our docking program fitted, we have designed a series of constrained covalent inhibitors, built from
Erik A A Wallén et al.
Journal of medicinal chemistry, 46(21), 4543-4551 (2003-10-03)
Isophthalic acid bis(l-prolyl-pyrrolidine) amide is a very potent prolyl oligopeptidase inhibitor, but it has a log P value of -0.2, which is very low for a compound targeted to the brain. Therefore, these types of compounds were further modified to
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