WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H592092
CAS#: 1391737-01-1
Description: VU0463271 inhibits co-transporter KCC2.
Hodoodo Cat#: H592092
Name: VU0463271
CAS#: 1391737-01-1
Chemical Formula: C19H18N4OS2
Exact Mass: 382.09
Molecular Weight: 382.500
Elemental Analysis: C, 59.66; H, 4.74; N, 14.65; O, 4.18; S, 16.76
Synonym: VU0463271; VU-0463271; VU 0463271;
IUPAC/Chemical Name: N-Cyclopropyl-N-(4-methyl-thiazol-2-yl)-2-(6-phenyl-pyridazin-3-ylsulfanyl)-acetamide
InChi Key: DPONSKCACOZTGN-UHFFFAOYSA-N
InChi Code: InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3
SMILES Code: O=C(N(C1CC1)C2=NC(C)=CS2)CSC3=NN=C(C4=CC=CC=C4)C=C3
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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 382.50 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Agez M, Schultz P, Medina I, Baker DJ, Burnham MP, Cardarelli RA, Conway LC, Garnier K, Geschwindner S, Gunnarsson A, McCall EJ, Frechard A, Audebert S, Deeb TZ, Moss SJ, Brandon NJ, Wang Q, Dekker N, Jawhari A. Molecular architecture of potassium chloride co-transporter KCC2. Sci Rep. 2017 Nov 28;7(1):16452. doi: 10.1038/s41598-017-15739-1. PubMed PMID: 29184062; PubMed Central PMCID: PMC5705597.
2: Kelley MR, Deeb TZ, Brandon NJ, Dunlop J, Davies PA, Moss SJ. Compromising KCC2 transporter activity enhances the development of continuous seizure activity. Neuropharmacology. 2016 Sep;108:103-10. doi: 10.1016/j.neuropharm.2016.04.029. Epub 2016 Apr 21. PubMed PMID: 27108931; PubMed Central PMCID: PMC5337122.
3: Sivakumaran S, Cardarelli RA, Maguire J, Kelley MR, Silayeva L, Morrow DH, Mukherjee J, Moore YE, Mather RJ, Duggan ME, Brandon NJ, Dunlop J, Zicha S, Moss SJ, Deeb TZ. Selective inhibition of KCC2 leads to hyperexcitability and epileptiform discharges in hippocampal slices and in vivo. J Neurosci. 2015 May 27;35(21):8291-6. doi: 10.1523/JNEUROSCI.5205-14.2015. PubMed PMID: 26019342; PubMed Central PMCID: PMC4444547.
4: 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.
