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MedKoo Cat#: 524502 | Name: BMS-561392

Description:

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

BMS-561392 is a tumor necrosis factor-alpha (TNF alpha) converting enzyme inhibitor for the potential treatment of diseases characterized by overproduction of TNF alpha, such as rheumatoid arthritis (RA).

Chemical Structure

BMS-561392
BMS-561392
CAS#611227-74-8

Theoretical Analysis

MedKoo Cat#: 524502

Name: BMS-561392

CAS#: 611227-74-8

Chemical Formula: C15H16FNO5

Exact Mass: 309.1013

Molecular Weight: 309.29

Elemental Analysis: C, 58.25; H, 5.21; F, 6.14; N, 4.53; O, 25.86

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 #
No Data
Synonym
BMS-561392; BMS561392; BMS 561392; DPC-333; DPC 333; DPC333.
IUPAC/Chemical Name
Acetamide, 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-ylidene)-N-((4-fluorophenyl)methyl)-N-methoxy-
InChi Key
JLUPGSPHOGFEOB-WQLSENKSSA-N
InChi Code
InChI=1S/C15H16FNO5/c1-15(2)21-12(14(19)22-15)8-13(18)17(20-3)9-10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3/b12-8-
SMILES Code
CC1(O/C(=C\C(=O)N(Cc2ccc(cc2)F)OC)/C(=O)O1)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, not in water
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 309.29 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: Vidal PM, Lemmens E, Avila A, Vangansewinkel T, Chalaris A, Rose-John S, Hendrix S. ADAM17 is a survival factor for microglial cells in vitro and in vivo after spinal cord injury in mice. Cell Death Dis. 2013 Dec 12;4:e954. doi: 10.1038/cddis.2013.466. PubMed PMID: 24336074; PubMed Central PMCID: PMC3877539. 2: Sharma M, Mohapatra J, Malik U, Wagh A, Singh A, Patel HM, Pandey D, Kadam S, Shah GB, Chatterjee A, Jain MR. Selective inhibition of tumor necrosis factor-α converting enzyme attenuates liver toxicity in a murine model of concanavalin A induced auto-immune hepatitis. Int Immunopharmacol. 2013 Oct;17(2):229-36. doi: 10.1016/j.intimp.2013.06.014. Epub 2013 Jun 28. PubMed PMID: 23816535. 3: Sharma M, Mohapatra J, Acharya A, Deshpande SS, Chatterjee A, Jain MR. Blockade of tumor necrosis factor-α converting enzyme (TACE) enhances IL-1β and IFN-γ via caspase-1 activation: a probable cause for loss of efficacy of TACE inhibitors in humans? Eur J Pharmacol. 2013 Feb 15;701(1-3):106-13. doi: 10.1016/j.ejphar.2012.12.002. Epub 2012 Dec 22. PubMed PMID: 23266381. 4: Fong KP, Barry C, Tran AN, Traxler EA, Wannemacher KM, Tang HY, Speicher KD, Blair IA, Speicher DW, Grosser T, Brass LF. Deciphering the human platelet sheddome. Blood. 2011 Jan 6;117(1):e15-26. doi: 10.1182/blood-2010-05-283838. Epub 2010 Oct 20. PubMed PMID: 20962327; PubMed Central PMCID: PMC3037762. 5: Kim ML, Zhang B, Mills IP, Milla ME, Brunden KR, Lee VM. Effects of TNFalpha-converting enzyme inhibition on amyloid beta production and APP processing in vitro and in vivo. J Neurosci. 2008 Nov 12;28(46):12052-61. doi: 10.1523/JNEUROSCI.2913-08.2008. PubMed PMID: 19005070; PubMed Central PMCID: PMC2646261. 6: Moss ML, Sklair-Tavron L, Nudelman R. Drug insight: tumor necrosis factor-converting enzyme as a pharmaceutical target for rheumatoid arthritis. Nat Clin Pract Rheumatol. 2008 Jun;4(6):300-9. doi: 10.1038/ncprheum0797. Epub 2008 Apr 15. Review. PubMed PMID: 18414459. 7: Garner CE, Solon E, Lai CM, Lin J, Luo G, Jones K, Duan J, Decicco CP, Maduskuie T, Mercer SE, Gan LS, Qian M, Prakash S, Shen HS, Lee FW. Role of P-glycoprotein and the intestine in the excretion of DPC 333 [(2R)-2-{(3R)-3-amino-3-[4-(2-methylquinolin-4-ylmethoxy)phenyl]-2-oxopyrrolidin- 1-yl}-N-hydroxy-4-methylpentanamide] in rodents. Drug Metab Dispos. 2008 Jun;36(6):1102-10. doi: 10.1124/dmd.107.017038. Epub 2008 Mar 17. PubMed PMID: 18347085. 8: Qian M, Bai SA, Brogdon B, Wu JT, Liu RQ, Covington MB, Vaddi K, Newton RC, Fossler MJ, Garner CE, Deng Y, Maduskuie T, Trzaskos J, Duan JJ, Decicco CP, Christ DD. Pharmacokinetics and pharmacodynamics of DPC 333 ((2R)-2-((3R)-3-amino-3{4-[2-methyl-4-quinolinyl) methoxy] phenyl}-2-oxopyrrolidinyl)-N-hydroxy-4-methylpentanamide)), a potent and selective inhibitor of tumor necrosis factor alpha-converting enzyme in rodents, dogs, chimpanzees, and humans. Drug Metab Dispos. 2007 Oct;35(10):1916-25. Epub 2007 Jul 26. PubMed PMID: 17656469. 9: Luo G, Garner CE, Xiong H, Hu H, Richards LE, Brouwer KL, Duan J, Decicco CP, Maduskuie T, Shen H, Lee FW, Gan LS. Effect of DPC 333 [(2R)-2-{(3R)-3-amino-3-[4-(2-methylquinolin-4-ylmethoxy)phenyl]-2-oxopyrrolidin- 1-yl}-N-hydroxy-4-methylpentanamide], a human tumor necrosis factor alpha-converting enzyme inhibitor, on the disposition of methotrexate: a transporter-based drug-drug interaction case study. Drug Metab Dispos. 2007 Jun;35(6):835-40. Epub 2007 Mar 1. PubMed PMID: 17332143. 10: Grootveld M, McDermott MF. BMS-561392. Bristol-Myers Squibb. Curr Opin Investig Drugs. 2003 May;4(5):598-602. Review. PubMed PMID: 12833656.

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BMS-564929

BMS-564929