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MedKoo Cat#: 328412 | Name: Pelubiprofen

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Pelubiprofen (also known as CS-670, DW-330, and RS-2131) is a prodrug of 2-arylpropionic acid with relatively selective effects on cyclooxygenase-2 activity. Pelubiprofen is a non-steroidal anti-inflammatory drugs that is related both structurally and pharmacologically to ibuprofen.

Chemical Structure

Pelubiprofen
Pelubiprofen
CAS#69956-77-0

Theoretical Analysis

MedKoo Cat#: 328412

Name: Pelubiprofen

CAS#: 69956-77-0

Chemical Formula: C16H18O3

Exact Mass: 258.1256

Molecular Weight: 258.32

Elemental Analysis: C, 74.40; H, 7.02; O, 18.58

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Pelubiprofen; CS-670; DW-330; RS-2131; CS 670; DW 330; RS 2131; CS670; DW330; RS2131; Pelubi
IUPAC/Chemical Name
(E)-2-(4-((2-oxocyclohexylidene)methyl)phenyl)propanoic acid
InChi Key
AUZUGWXLBGZUPP-GXDHUFHOSA-N
InChi Code
InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+
SMILES Code
CC(C1=CC=C(/C=C2C(CCCC/2)=O)C=C1)C(O)=O
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

Preparing Stock Solutions

The following data is based on the product molecular weight 258.32 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
1: Ryu JH, Park JS, Jo MH, Kim JI, Shim WS, Kim BH, Yim SV, Hong J, Lee KT. Development and validation of an LC-MS/MS method for the determination of pelubiprofen and its active metabolite, trans-alcohol, in human plasma and its application to pharmacokinetic study. J Chromatogr B Analyt Technol Biomed Life Sci. 2015 Mar 1;983-984:62-7. doi: 10.1016/j.jchromb.2014.12.037. Epub 2015 Jan 15. PubMed PMID: 25618252. 2: Choi IA, Baek HJ, Cho CS, Lee YA, Chung WT, Park YE, Lee YJ, Park YB, Lee J, Lee SS, Yoo WH, Song JS, Kang SW, Kim HA, Song YW. Comparison of the efficacy and safety profiles of a pelubiprofen versus celecoxib in patients with rheumatoid arthritis: a 6-week, multicenter, randomized, double-blind, phase III, non-inferiority clinical trial. BMC Musculoskelet Disord. 2014 Nov 18;15:375. doi: 10.1186/1471-2474-15-375. PubMed PMID: 25403311; PubMed Central PMCID: PMC4247700. 3: Song SH, Chae BR, Sohn SI, Yeom DW, Son HY, Kim JH, Kim SR, Lee SG, Choi YW. Formulation of controlled-release pelubiprofen tablet using Kollidon(®) SR. Int J Pharm. 2016 Sep 25;511(2):864-75. doi: 10.1016/j.ijpharm.2016.07.074. Epub 2016 Aug 1. PubMed PMID: 27492018. 4: Shin JS, Baek SR, Sohn SI, Cho YW, Lee KT. Anti-inflammatory effect of pelubiprofen, 2-[4-(oxocyclohexylidenemethyl)-phenyl]propionic acid, mediated by dual suppression of COX activity and LPS-induced inflammatory gene expression via NF-κB inactivation. J Cell Biochem. 2011 Dec;112(12):3594-603. doi: 10.1002/jcb.23290. PubMed PMID: 21809372. 5: Itoh K, Yamamoto K, Adachi M, Kosaka T, Tanaka Y. Leukotriene B4 12-hydroxydehydrogenase/15-ketoprostaglandin Delta 13-reductase (LTB4 12-HD/PGR) responsible for the reduction of a double-bond of the alpha,beta-unsaturated ketone of an aryl propionic acid non-steroidal anti-inflammatory agent CS-670. Xenobiotica. 2008 Mar;38(3):249-63. doi: 10.1080/00498250701767667 . PubMed PMID: 18274955. 6: Asami M, Takasaki W, Iwabuchi H, Haruyama H, Wachi K, Terada A, Tanaka Y. Stereospecific taurine conjugation of the trans-OH metabolite (active metabolite) of CS-670, a new 2-arylpropionic acid nonsteroidal anti-inflammatory drug, in dogs. Biol Pharm Bull. 1995 Nov;18(11):1584-9. PubMed PMID: 8593485. 7: Terada A, Naruto S, Wachi K, Tanaka S, Iizuka Y, Misaka E. Synthesis and antiinflammatory activity of [(cycloalkylmethyl)phenyl]acetic acids and related compounds. J Med Chem. 1984 Feb;27(2):212-6. PubMed PMID: 6607354. 8: Asami M, Shigeta A, Tanaka Y. Disposition of CS-670, a novel nonsteroidal anit-inflammatory drug, and its metabolites in healthy human volunteers. Chirality. 1996;8(2):207-13. PubMed PMID: 8857182. 9: Asami M, Yamamura M, Takasaki W, Tanaka Y. Quantitative determination of diol metabolites of CS-670, a new antiinflammatory agent, by capillary column gas chromatography-mass spectrometry. J Chromatogr B Biomed Appl. 1995 Mar 10;665(1):107-16. PubMed PMID: 7795780. 10: Takasaki W, Asami M, Muramatsu S, Hayashi R, Tanaka Y, Kawabata K, Hoshiyama K. Stereoselective determination of the active metabolites of a new anti-inflammatory agent (CS-670) in human and rat plasma using antibody-mediated extraction and high-performance liquid chromatography. J Chromatogr. 1993 Mar 5;613(1):67-77. PubMed PMID: 8458904. 11: Kobayashi K, Abe C, Iizuka Y, Shiokawa Y. Immunomodulation by RS-2131, a new non-steroidal antiinflammatory drug. Immunopharmacology. 1986 Dec;12(3):213-20. PubMed PMID: 3546192.