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172733-08-3

172733-08-3 Structure

172733-08-3 Structure
IdentificationBack Directory
[Name]

S-3013
[CAS]

172733-08-3
[Synonyms]

A-002
S-3013
Varespladib Methyl
Acetic acid, 2-[[3-(2-amino-2-oxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl]oxy]-, methyl ester
[Molecular Formula]

C22H22N2O5
[MDL Number]

MFCD09833542
[MOL File]

172733-08-3.mol
[Molecular Weight]

394.42
Chemical PropertiesBack Directory
[Melting point ]

172-187 °C
[Boiling point ]

624.6±65.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 100 mg/mL (253.54 mM)
[form ]

Solid
[pka]

12?+-.0.50(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

Varespladib methyl (A-002; LY333013) is a selective inhibitor of group II secretory phospholipase A2 (PLA2).
[Definition]

ChEBI: Varespladib methyl is a methyl ester resulting from the formal condensation of the carboxy group of varespladib with methanol. It is a potential therapy for the treatment of snakebite envenomings in which toxicity depends on the action of PLA2s. It has a role as a prodrug, an anti-inflammatory drug, an antidote and an EC 3.1.1.4 (phospholipase A2) inhibitor. It is a methyl ester, an aromatic ether, a member of benzenes, a member of indoles and a primary carboxamide. It is functionally related to a varespladib.
[References]

[1] Bradley JD, et al. A randomized, double-blinded, placebo-controlled clinical trial of LY333013, a selective inhibitor of group II secretory phospholipase A2, in the treatment of rheumatoid arthritis. J Rheumatol. 2005 Mar;32(3):417-23. PMID:15742431
[2] Lewin M, et al. Varespladib (LY315920) Appears to Be a Potent, Broad-Spectrum, Inhibitor of Snake Venom Phospholipase A2 and a Possible Pre-Referral Treatment for Envenomation. Toxins (Basel). 2016 Aug 25;8(9). pii: E248. DOI:10.3390/toxins8090248
Spectrum DetailBack Directory
[Spectrum Detail]

S-3013(172733-08-3)1HNMR
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