ABT-518 | CAS#286845-00-9 | MedKoo Biosciences

MedKoo Cat#: 206211 | Name: ABT-518

Description:

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

ABT-518 is an inhibitor of matrix metalloproteinases, which are associated with tumor growth and development of metastasis.

Chemical Structure

ABT-518

CAS#286845-00-9

Theoretical Analysis

MedKoo Cat#: 206211

Name: ABT-518

CAS#: 286845-00-9

Chemical Formula: C21H22F3NO8S

Exact Mass: 505.1018

Molecular Weight: 505.46

Elemental Analysis: C, 49.90; H, 4.39; F, 11.28; N, 2.77; O, 25.32; S, 6.34

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 #

No Data

Synonym

ABT518; ABT 518; ABT-518

IUPAC/Chemical Name

N-((S)-1-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-((4-(4-(trifluoromethoxy)phenoxy)phenyl)sulfonyl)ethyl)-N-hydroxyformamide

InChi Key

IVPPTWCRAFCOFJ-RTBURBONSA-N

InChi Code

InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18-,19-/m1/s1

SMILES Code

O=CN([C@@H]([C@@H]1OC(C)(C)OC1)CS(=O)(C2=CC=C(OC3=CC=C(OC(F)(F)F)C=C3)C=C2)=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, 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

ABT-518 is a potent inhibitor of gelatinase A and gelatinase B, two matrix metalloproteinase (MMP) enzymes involved in tumor growth and metastasis. ABT-518 has demonstrated robust antitumor activity in a variety of animal models. This compound is a potent and selective inhibitor of these enzyme targets.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 505.46 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.

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: Fattori D, Squarcia A, Bartoli S. Fragment-based approach to drug lead discovery: overview and advances in various techniques. Drugs R D. 2008;9(4):217-27. Review. PubMed PMID: 18588353. 2: Stokvis E, Rosing H, Beijnen JH. Stable isotopically labeled internal standards in quantitative bioanalysis using liquid chromatography/mass spectrometry: necessity or not? Rapid Commun Mass Spectrom. 2005;19(3):401-7. PubMed PMID: 15645520. 3: Sutton TA, Kelly KJ, Mang HE, Plotkin Z, Sandoval RM, Dagher PC. Minocycline reduces renal microvascular leakage in a rat model of ischemic renal injury. Am J Physiol Renal Physiol. 2005 Jan;288(1):F91-7. Epub 2004 Sep 7. PubMed PMID: 15353401. 4: Wada CK. The evolution of the matrix metalloproteinase inhibitor drug discovery program at abbott laboratories. Curr Top Med Chem. 2004;4(12):1255-67. Review. PubMed PMID: 15320725. 5: Stokvis E, Rosing H, Crul M, Rieser MJ, Heck AJ, Schellens JH, Beijnen JH. Quantitative analysis of the novel anticancer drug ABT-518, a matrix metalloproteinase inhibitor, plus the screening of six metabolites in human plasma using high-performance liquid chromatography coupled with electrospray tandem mass spectrometry. J Mass Spectrom. 2004 Mar;39(3):277-88. PubMed PMID: 15039935. 6: Crul M, Beerepoot LV, Stokvis E, Vermaat JS, Rosing H, Beijnen JH, Voest EE, Schellens JH. Clinical pharmacokinetics, pharmacodynamics and metabolism of the novel matrix metalloproteinase inhibitor ABT-518. Cancer Chemother Pharmacol. 2002 Dec;50(6):473-8. Epub 2002 Oct 25. PubMed PMID: 12451474. 7: Gum RJ, Hickman D, Fagerland JA, Heindel MA, Gagne GD, Schmidt JM, Michaelides MR, Davidsen SK, Ulrich RG. Analysis of two matrix metalloproteinase inhibitors and their metabolites for induction of phospholipidosis in rat and human hepatocytes(1). Biochem Pharmacol. 2001 Dec 15;62(12):1661-73. PubMed PMID: 11755120. 8: Wada CK, Holms JH, Curtin ML, Dai Y, Florjancic AS, Garland RB, Guo Y, Heyman HR, Stacey JR, Steinman DH, Albert DH, Bouska JJ, Elmore IN, Goodfellow CL, Marcotte PA, Tapang P, Morgan DW, Michaelides MR, Davidsen SK. Phenoxyphenyl sulfone N-formylhydroxylamines (retrohydroxamates) as potent, selective, orally bioavailable matrix metalloproteinase inhibitors. J Med Chem. 2002 Jan 3;45(1):219-32. PubMed PMID: 11754593.