MedKoo Cat#: 555370 | Name: ML-077

Description:

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

ML-077, also known as VU0255011, is a highly selective, potent, saline soluble, "best in class" KCC2 antagonist for high fidelity in vitro studies on KCC2 function with IC(50)=537 nM. ML-077 is cell permeable and exhibits submicromolar potency, and shows greater than 10-fold selectivity over other closely related NKCC transporters.

Chemical Structure

ML-077
ML-077
CAS#1135304-61-8

Theoretical Analysis

MedKoo Cat#: 555370

Name: ML-077

CAS#: 1135304-61-8

Chemical Formula: C17H16N4OS2

Exact Mass: 356.0766

Molecular Weight: 356.46

Elemental Analysis: C, 57.28; H, 4.52; N, 15.72; O, 4.49; S, 17.99

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
ML-077; ML 077; ML077; VU0255011; VU-0255011; VU 0255011; CID-25067404; CID 25067404; CID25067404;
IUPAC/Chemical Name
N-Methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
InChi Key
POKKSIROKFEGGD-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
SMILES Code
O=C(N(C)C1=NC(C)=CS1)CSC2=NN=C(C3=CC=CC=C3)C=C2
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
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 356.46 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
1: Olde Engberink AHO, Meijer JH, Michel S. Chloride cotransporter KCC2 is essential for GABAergic inhibition in the SCN. Neuropharmacology. 2018 Aug;138:80-86. doi: 10.1016/j.neuropharm.2018.05.023. Epub 2018 May 18. PubMed PMID: 29782876. 2: Delpire E, Baranczak A, Waterson AG, Kim K, Kett N, Morrison RD, Daniels JS, Weaver CD, Lindsley CW. Further optimization of the K-Cl cotransporter KCC2 antagonist ML077: development of a highly selective and more potent in vitro probe. Bioorg Med Chem Lett. 2012 Jul 15;22(14):4532-5. doi: 10.1016/j.bmcl.2012.05.126. Epub 2012 Jun 7. PubMed PMID: 22727639; PubMed Central PMCID: PMC3389279. 3: Lindsley C, Lewis M, Weaver D, Delpire E. Discovery of a Highly Selective KCC2 Antagonist. 2009 Feb 1 [updated 2010 Oct 4]. 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/NBK47347/ PubMed PMID: 21433363.