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About This Item
Empirical Formula (Hill Notation):
C10H16N2O2
CAS Number:
Molecular Weight:
196.25
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
assay
97%
optical activity
[α]20/D −105.5°, c = 1 in chloroform
mp
33-36 °C (lit.)
SMILES string
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
Application
Used in synthesis of prolyl oligopeptidase inhibitors.
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
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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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