Darbufelone Free Base

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MedKoo CAT#: 413465

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

Description: 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

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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: 332.16
Molecular Weight: 332.460
Elemental Analysis: C, 65.03; H, 7.28; N, 8.43; O, 9.62; S, 9.64

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
To be determined 0.0 100.00

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.

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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.