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MedKoo Cat#: 413465 | Name: Darbufelone Free Base

Description:

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

Darbufelone Free Base is a novel anti-inflammatory drug that induces growth inhibition of lung cancer cells both in vitro and in vivo

Chemical Structure

Darbufelone Free Base
Darbufelone Free Base
CAS#139226-28-1 (free base)

Theoretical Analysis

MedKoo Cat#: 413465

Name: Darbufelone Free Base

CAS#: 139226-28-1 (free base)

Chemical Formula: C18H24N2O2S

Exact Mass: 332.1558

Molecular Weight: 332.46

Elemental Analysis: C, 65.03; H, 7.28; N, 8.43; O, 9.62; S, 9.64

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.
Bulk Inquiry
Related CAS #
139226-28-1 (free base) 139340-56-0 (mesylate)
Synonym
Darbufelone Free Base
IUPAC/Chemical Name
5-((Z)-3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-imino-4-thiazolidinone
InChi Key
AKTXOQVMWSFEBQ-LCYFTJDESA-N
InChi Code
InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)/b13-9-
SMILES Code
O=C1NC(S/C1=C\C2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C2)=N
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
to be determined
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
Solvent mg/mL mM
Solubility
To be determined 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 332.46 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: Ye X, Zhou W, Li Y, Sun Y, Zhang Y, Ji H, Lai Y. Darbufelone, a novel anti- inflammatory drug, induces growth inhibition of lung cancer cells both in vitro and in vivo. Cancer Chemother Pharmacol. 2010 Jul;66(2):277-85. doi: 10.1007/s00280-009-1161-z. Epub 2010 Mar 30. PMID: 20352217. 2: Johnson AR, Marletta MA, Dyer RD. Slow-binding inhibition of human prostaglandin endoperoxide synthase-2 with darbufelone, an isoform-selective antiinflammatory di-tert-butyl phenol. Biochemistry. 2001 Jun 26;40(25):7736-45. doi: 10.1021/bi002343f. PMID: 11412128. 3: Galvão GM, Florentino IF, Sanz G, Vaz BG, Lião LM, Sabino JR, Cardoso CS, da Silva DPB, Costa EA, Silva ALP, da Silva ACG, Valadares MC, Leite JA, de S Gil E, Menegatti R. Anti-inflammatory and antinociceptive activity profile of a new lead compound - LQFM219. Int Immunopharmacol. 2020 Nov;88:106893. doi: 10.1016/j.intimp.2020.106893. Epub 2020 Sep 3. PMID: 32892073. 4: Che XH, Chen CL, Ye XL, Weng GB, Guo XZ, Yu WY, Tao J, Chen YC, Chen X. Dual inhibition of COX-2/5-LOX blocks colon cancer proliferation, migration and invasion in vitro. Oncol Rep. 2016 Mar;35(3):1680-8. doi: 10.3892/or.2015.4506. Epub 2015 Dec 22. PMID: 26707712. 5: Lino RC, da Silva DPB, Florentino IF, da Silva DM, Martins JLR, Batista DDC, Leite KCS, Villavicencio B, Vasconcelos GA, Silva ALP, de Ávila RI, Verli H, Valadares MC, Gil ES, Vaz BG, Lião LM, Menegatti R, Costa EA. Pharmacological evaluation and molecular docking of new di-tert-butylphenol compound, LQFM-091, a new dual 5-LOX/COX inhibitor. Eur J Pharm Sci. 2017 Aug 30;106:231-243. doi: 10.1016/j.ejps.2017.06.006. PMID: 28599988. 6: Sharma RN, Xavier FP, Vasu KK, Chaturvedi SC, Pancholi SS. Synthesis of 4-benzyl-1,3-thiazole derivatives as potential anti-inflammatory agents: an analogue-based drug design approach. J Enzyme Inhib Med Chem. 2009 Jun;24(3):890-7. doi: 10.1080/14756360802519558. PMID: 19469712. 7: Lai Y, Ma L, Huang W, Yu X, Zhang Y, Ji H, Tian J. Synthesis and biological evaluation of 3-[4-(amino/methylsulfonyl)phenyl]methylene-indolin-2-one derivatives as novel COX-1/2 and 5-LOX inhibitors. Bioorg Med Chem Lett. 2010 Dec 15;20(24):7349-53. doi: 10.1016/j.bmcl.2010.10.056. Epub 2010 Oct 20. PMID: 21055929. 8: Fomenko IS, Bondarchuk TI, Bilets'ka LP, Panasiuk NB, Skliarov OIa. [Parameters of NO synthase system of gastric mucosa in rats under stress conditions and inhibition of cyclooxygenase]. Fiziol Zh. 2014;60(2):51-6. Ukrainian. PMID: 25007521. 9: Andress LD, Guttendorf RJ. High-performance liquid chromatographic assay for CI-1004, a dual-inhibitor antiinflammatory agent, in rat, rabbit, dog, monkey and human plasma. J Chromatogr B Biomed Sci Appl. 1997 Sep 26;698(1-2):171-9. doi: 10.1016/s0378-4347(97)00280-6. PMID: 9367205.

View History

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