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Safety Information

542091

Sigma-Aldrich

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

97%

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About This Item

Empirical Formula (Hill Notation):
C10H16N2O2
CAS Number:
228244-04-0
Molecular Weight:
196.25
MDL number:
MFCD01861224
UNSPSC Code:
12352005
PubChem Substance ID:
24878582
NACRES:
NA.22

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

542091-500MG:4548173168333
542091-BULK:
542091-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
09126KD
04521JD
04621JD
04123CD
07228TC

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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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