Synonym
DG-051 HCl; DG 051; DG051; DG-051 hydrochloride
IUPAC/Chemical Name
(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-pyrrolidinebutanoic acid, monohydrochloride
InChi Key
UCPVOTSNNAVKNE-LMOVPXPDSA-N
InChi Code
InChI=1S/C21H24ClNO4.ClH/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25;/h5-12,17H,1-4,13-15H2,(H,24,25);1H/t17-;/m0./s1
SMILES Code
O=C(O)CCCN1[C@H](COC2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CCC1.[H]Cl
Appearance
A solution in ethanol
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
426.33
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Sandanayaka V, Mamat B, Mishra RK, Winger J, Krohn M, Zhou LM, Keyvan M,
Enache L, Sullins D, Onua E, Zhang J, Halldorsdottir G, Sigthorsdottir H,
Thorlaksdottir A, Sigthorsson G, Thorsteinnsdottir M, Davies DR, Stewart LJ,
Zembower DE, Andresson T, Kiselyov AS, Singh J, Gurney ME. Discovery of
4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid
(DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4
biosynthesis. J Med Chem. 2010 Jan 28;53(2):573-85. doi: 10.1021/jm900838g.
PubMed PMID: 19950900.
2: Enache LA, Zhang J, Sullins DW, Kennedy I, Onua E, Zembower DE, Muellner FW,
Singh J, Kiselyov AS. Synthesis and structural assignment of two major
metabolites of the LTA4H inhibitor DG-051. Bioorg Med Chem Lett. 2009 Nov
15;19(22):6275-9. doi: 10.1016/j.bmcl.2009.09.097. Epub 2009 Sep 29. PubMed PMID:
19819140.
