MedKoo Cat#: 599126 | Name: Lobuprofen

Description:

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

Lobuprofen is an analgesic agent.

Chemical Structure

Lobuprofen
Lobuprofen
CAS#98207-12-6

Theoretical Analysis

MedKoo Cat#: 599126

Name: Lobuprofen

CAS#: 98207-12-6

Chemical Formula: C25H33ClN2O2

Exact Mass: 428.2231

Molecular Weight: 429.00

Elemental Analysis: C, 69.99; H, 7.75; Cl, 8.26; N, 6.53; O, 7.46

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 #
98207-12-6 (free) 98207-13-7 (HCl)
Synonym
Lobuprofen;
IUPAC/Chemical Name
2-(4-(3-chlorophenyl)piperazin-1-yl)ethyl 2-(4-isobutylphenyl)propanoate
InChi Key
JFGXBHHLHQAGRR-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H33ClN2O2/c1-19(2)17-21-7-9-22(10-8-21)20(3)25(29)30-16-15-27-11-13-28(14-12-27)24-6-4-5-23(26)18-24/h4-10,18-20H,11-17H2,1-3H3
SMILES Code
CC(Cc1ccc(C(C(OCCN2CCN(c3cc(Cl)ccc3)CC2)=O)C)cc1)C
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
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 429.00 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
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PubMed PMID: 26122864. 4: Atkinson HC, Stanescu I, Frampton C, Salem II, Beasley CP, Robson R. Pharmacokinetics and Bioavailability of a Fixed-Dose Combination of Ibuprofen and Paracetamol after Intravenous and Oral Administration. Clin Drug Investig. 2015 Oct;35(10):625-32. doi: 10.1007/s40261-015-0320-8. PubMed PMID: 26334726; PubMed Central PMCID: PMC4579261. 5: Moore RA, Derry S, Straube S, Ireson-Paine J, Wiffen PJ. Faster, higher, stronger? Evidence for formulation and efficacy for ibuprofen in acute pain. Pain. 2014 Jan;155(1):14-21. doi: 10.1016/j.pain.2013.08.013. Epub 2013 Aug 19. Review. PubMed PMID: 23969325. 6: Mazaleuskaya LL, Theken KN, Gong L, Thorn CF, FitzGerald GA, Altman RB, Klein TE. PharmGKB summary: ibuprofen pathways. Pharmacogenet Genomics. 2015 Feb;25(2):96-106. doi: 10.1097/FPC.0000000000000113. PubMed PMID: 25502615; PubMed Central PMCID: PMC4355401. 7: Bédouet L, Pascale F, Bonneau M, Laurent A. In vitro evaluation of S-(+)-ibuprofen as drug candidate for intra-articular drug delivery system. Drug Dev Ind Pharm. 2015 Jan;41(1):85-94. doi: 10.3109/03639045.2013.850704. Epub 2013 Oct 30. PubMed PMID: 24168233. 8: Nakov N, Petkovska R, Ugrinova L, Kavrakovski Z, Dimitrovska A, Svinarov D. Critical development by design of a rugged HPLC-MS/MS method for direct determination of ibuprofen enantiomers in human plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 2015 Jun 15;992:67-75. doi: 10.1016/j.jchromb.2015.04.029. Epub 2015 Apr 25. PubMed PMID: 25958322. 9: Deeks ED. Fixed-dose ibuprofen/famotidine: a review of its use to reduce the risk of gastric and duodenal ulcers in patients requiring NSAID therapy. Clin Drug Investig. 2013 Sep;33(9):689-97. doi: 10.1007/s40261-013-0113-x. Review. PubMed PMID: 23881568. 10: Lago P, Salvadori S, Opocher F, Ricato S, Chiandetti L, Frigo AC. Continuous infusion of ibuprofen for treatment of patent ductus arteriosus in very low birth weight infants. Neonatology. 2014;105(1):46-54. doi: 10.1159/000355679. Epub 2013 Nov 19. PubMed PMID: 24281435. 11: Gee CM, Watkinson AC, Nicolazzo JA, Finnin BC. The effect of formulation excipients on the penetration and lateral diffusion of ibuprofen on and within the stratum corneum following topical application to humans. J Pharm Sci. 2014 Mar;103(3):909-19. doi: 10.1002/jps.23850. Epub 2014 Jan 13. PubMed PMID: 24421242. 12: Cossu MV, Cattaneo D, Fucile S, Pellegrino P, Baldelli S, Cozzi V, Capetti A, Clementi E. Combined isosorbide dinitrate and ibuprofen as a novel therapy for muscular dystrophies: evidence from Phase I studies in healthy volunteers. Drug Des Devel Ther. 2014 May 2;8:411-9. doi: 10.2147/DDDT.S58803. eCollection 2014. PubMed PMID: 24851040; PubMed Central PMCID: PMC4018313. 13: Yadav S, Agarwal S, Maria A, Dudeja A, Dubey NK, Anand P, Yadav DK. Comparison of oral ibuprofen with oral indomethacin for PDA closure in Indian preterm neonates: a randomized controlled trial. Pediatr Cardiol. 2014 Jun;35(5):824-30. doi: 10.1007/s00246-014-0861-2. Epub 2014 Jan 17. PubMed PMID: 24435507. 14: Har-Even R, Stepensky D, Britzi M, Soback S, Chaim AB, Brandriss N, Goldman M, Berkovitch M, Kozer E. Plasma and cerebrospinal fluid concentrations of ibuprofen in pediatric patients and antipyretic effect: Pharmacokinetic-pharmacodynamic modeling analysis. J Clin Pharmacol. 2014 Sep;54(9):1023-30. doi: 10.1002/jcph.307. Epub 2014 Apr 21. PubMed PMID: 24733245. 15: Morozova TE, Andrushchishina TB, Antipova EK. [Ibuprofen: safety and efficiency of its use in wide clinical practice]. Ter Arkh. 2013;85(3):118-24. Review. Russian. PubMed PMID: 23720856. 16: Terebetski JL, Cummings JJ, Fauty SE, Michniak-Kohn B. Combined use of crystalline sodium salt and polymeric precipitation inhibitors to improve pharmacokinetic profile of ibuprofen through supersaturation. AAPS PharmSciTech. 2014 Oct;15(5):1334-44. doi: 10.1208/s12249-014-0163-2. Epub 2014 Jun 12. PubMed PMID: 24920524; PubMed Central PMCID: PMC4179647. 17: Sarzi-Puttini P, Atzeni F, Lanata L, Bagnasco M. Efficacy of ketoprofen vs. ibuprofen and diclofenac: a systematic review of the literature and meta-analysis. Clin Exp Rheumatol. 2013 Sep-Oct;31(5):731-8. Epub 2013 May 17. Review. PubMed PMID: 23711416. 18: Wong PC, Heng PW, Chan LW. Spray congealing as a microencapsulation technique to develop modified-release ibuprofen solid lipid microparticles: the effect of matrix type, polymeric additives and drug-matrix miscibility. J Microencapsul. 2015;32(8):725-36. doi: 10.3109/02652048.2015.1073387. Epub 2015 Aug 4. PubMed PMID: 26242841. 19: Moss JR, Watcha MF, Bendel LP, McCarthy DL, Witham SL, Glover CD. 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