DG-051 HCl
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MedKoo CAT#: 530662

CAS#: 929915-58-2

Description: DG-051 is a LTA4H inhibitor. DG-051 showed K(d) = 26 nM with high aqueous solubility (>30 mg/mL) and high oral bioavailability (>80% across species). DG-051 is currently undergoing clinical evaluation for the treatment of myocardial infarction and stroke.

Chemical Structure

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DG-051 HCl
CAS# 929915-58-2
Instruction

Theoretical Analysis

MedKoo Cat#: 530662
Name: DG-051 HCl
CAS#: 929915-58-2
Chemical Formula: C21H25Cl2NO4
Exact Mass: 425.12
Molecular Weight: 426.334
Elemental Analysis: C, 59.16; H, 5.91; Cl, 16.63; N, 3.29; O, 15.01

Price and Availability

Size Price Availability Quantity
5mg USD 250 2 weeks
10mg USD 450 2 weeks
25mg USD 750 2 weeks
Bulk inquiry

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: Solid powder

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

More Info:

Biological target:
In vitro activity:
In vivo activity:

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.

Recalculate based on batch purity %
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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.