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542091

(S)-(−)-1-Boc-2-pyrrolidinecarbonitrile

Name: (<I>S</I>)-(−)-1-Boc-2-pyrrolidinecarbonitrile
Brand: ALDRICH

97%

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About This Item

Empirical Formula (Hill Notation):

C₁₀H₁₆N₂O₂

CAS Number:

228244-04-0

Molecular Weight:

196.25

NACRES:

NA.22

PubChem Substance ID:

24878582

UNSPSC Code:

12352005

MDL number:

MFCD01861224

Assay:

97%

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Properties

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

Description

Application

Used in synthesis of prolyl oligopeptidase inhibitors.

Storage Class

10 - Combustible liquids

wgk

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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Constrained peptidomimetics reveal detailed geometric requirements of covalent prolyl oligopeptidase inhibitors.

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

New prolyl oligopeptidase inhibitors developed from dicarboxylic acid bis(l-prolyl-pyrrolidine) amides.

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

Global Trade Item Number

SKU	GTIN
542091-500MG	04061832986449