ML-281
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MedKoo CAT#: 406783

CAS#: 1404437-62-2

Description: ML-281 is a potent ans selective STK33 inhibitor (IC50 = 14 nM). ML281 showed low nanomolar inhibition of purified recombinant STK33 and a distinct selectivity profile as compared to other STK33 inhibitors. ML281 is a valuable addition to small-molecule probes of STK33. v-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog (KRAS) is the most mutated oncogene, and KRAS mutations have been found in up to 20% of all human tumors. STK33 was selectively toxic to KRAS-dependent cancer cell lines, suggesting that small-molecule inhibitors of STK33 might selectively target KRAS-dependent cancers.


Chemical Structure

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ML-281
CAS# 1404437-62-2

Theoretical Analysis

MedKoo Cat#: 406783
Name: ML-281
CAS#: 1404437-62-2
Chemical Formula: C22H19N3O2S
Exact Mass: 389.12
Molecular Weight: 389.473
Elemental Analysis: C, 67.85; H, 4.92; N, 10.79; O, 8.22; S, 8.23

Price and Availability

Size Price Availability Quantity
5mg USD 90 Ready to ship
10mg USD 150 Ready to ship
25mg USD 250 Ready to ship
50mg USD 450 Ready to ship
100mg USD 750 Ready to ship
200mg USD 1250 Ready to ship
500mg USD 2450 2 Weeks
Bulk inquiry

Synonym: ML-281; ML-281; ML281.

IUPAC/Chemical Name: N-[2-(3,4-Dihydro-3-oxo-2-quinoxalinyl)-4-(1-methylethyl)phenyl]-2-thiophenecarboxamide

InChi Key: HWOYIOLMBQSTQS-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H19N3O2S/c1-13(2)14-9-10-16(24-21(26)19-8-5-11-28-19)15(12-14)20-22(27)25-18-7-4-3-6-17(18)23-20/h3-13H,1-2H3,(H,24,26)(H,25,27)

SMILES Code: O=C(C1=CC=CS1)NC2=CC=C(C(C)C)C=C2C3=NC4=C(C=CC=C4)NC3=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:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO, not in water 0.0 100.00

Preparing Stock Solutions

The following data is based on the product molecular weight 389.47 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: Spoonamore J, Weïwer M, Wei J, Guichard B, Ross NT, Masson K, Silkworth W,
Dandapani S, Munoz B, Palmer M, Scherer C, Schreiber SL. Screen for Inhibitors of
STK33 Kinase Activity. 2011 Dec 16 [updated 2014 May 13]. Probe Reports from the
NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for
Biotechnology Information (US); 2010-. Available from
http://www.ncbi.nlm.nih.gov/books/NBK133418/
PubMed PMID: 23658944.


2: Weïwer M, Spoonamore J, Wei J, Guichard B, Ross NT, Masson K, Silkworth W,
Dandapani S, Palmer M, Scherer CA, Stern AM, Schreiber SL, Munoz B. A Potent and
Selective Quinoxalinone-Based STK33 Inhibitor Does Not Show Synthetic Lethality
in KRAS-Dependent Cells. ACS Med Chem Lett. 2012 Dec 13;3(12):1034-1038. Epub
2012 Oct 22. PubMed PMID: 23256033; PubMed Central PMCID: PMC3523537.