MedKoo Cat#: 407848 | Name: LSN-3213128

Description:

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

LSN-3213128 is a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor (enzyme IC50 values of <25 nM). LSN-3213128 is effective at Tumor Suppression in a Cancer Xenograft Model. Inhibition of AICARFT with compound LSN-3213128 results in dramatic elevation of 5-aminoimidazole 4-carboxamide ribonucleotide (ZMP) and growth inhibition in NCI-H460 and MDA-MB-231met2 cancer cell lines. Treatment with this inhibitor in a murine based xenograft model of triple negative breast cancer (TNBC) resulted in tumor growth inhibition.

Chemical Structure

LSN-3213128
LSN-3213128
CAS#1941211-99-9 (free)

Theoretical Analysis

MedKoo Cat#: 407848

Name: LSN-3213128

CAS#: 1941211-99-9 (free)

Chemical Formula: C17H16FN3O4S2

Exact Mass: 409.0566

Molecular Weight: 409.45

Elemental Analysis: C, 49.87; H, 3.94; F, 4.64; N, 10.26; O, 15.63; S, 15.66

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 #
1941211-99-9 (free) 1941212-28-7 1941212-29-8 (sodium)
Synonym
LSN-3213128; LSN 3213128; LSN3213128.
IUPAC/Chemical Name
N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide
InChi Key
DSUZLJDXUJUTGI-LLVKDONJSA-N
InChi Code
InChI=1S/C17H16FN3O4S2/c18-13-7-10-3-5-19-17(23)12(10)8-14(13)20-27(24,25)16-2-1-15(26-16)21-6-4-11(22)9-21/h1-3,5,7-8,11,20,22H,4,6,9H2,(H,19,23)/t11-/m1/s1
SMILES Code
O=S(C1=CC=C(N2C[C@H](O)CC2)S1)(NC3=CC4=C(C=C3F)C=CNC4=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
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
AICARFT is an enzyme in the purine biosynthetic pathway.

Preparing Stock Solutions

The following data is based on the product molecular weight 409.45 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: Fales KR, Njoroge FG, Brooks HB, Thibodeaux S, Torrado A, Si C, Toth JL, Mc Cowan JR, Roth KD, Thrasher KJ, Frimpong K, Lee MR, Dally RD, Shepherd TA, Durham TB, Margolis BJ, Wu Z, Wang Y, Atwell S, Wang J, Hui YH, Meier TI, Konicek SA, Geeganage S. Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model. J Med Chem. 2017 Nov 9. doi: 10.1021/acs.jmedchem.7b01046. [Epub ahead of print] PubMed PMID: 29072452.