WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H561143
CAS#: 352683-04-6
Description: MDK-3046, also known as HK inhibitor 2, is an inhibitor of YycG histidine kinase (HK). The last four digits of the CAS registry number are used in the name of this compound. MDK-3046 has potent antibiofim activity against Staphylococcus epidermidis.
Hodoodo Cat#: H561143
Name: MDK-3046
CAS#: 352683-04-6
Chemical Formula: C29H28N2O5S
Exact Mass: 516.17
Molecular Weight: 516.610
Elemental Analysis: C, 67.42; H, 5.46; N, 5.42; O, 15.48; S, 6.21
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Synonym: MDK-3046; MDK3046; MDK 3046; HK inhibitor 2; HK-inhibitor-2
IUPAC/Chemical Name: {4-[3-(2-Ethyl-phenyl)-2(Z)-(2-ethyl-phenylimino)-4-oxo-thiazolidin-5(Z)-ylidenemethyl]-2-methoxy-phenoxy}-acetic acid
InChi Key: DZYMAABFFBOFLC-ACQOKJFWSA-N
InChi Code: InChI=1S/C29H28N2O5S/c1-4-20-10-6-8-12-22(20)30-29-31(23-13-9-7-11-21(23)5-2)28(34)26(37-29)17-19-14-15-24(25(16-19)35-3)36-18-27(32)33/h6-17H,4-5,18H2,1-3H3,(H,32,33)/b26-17+,30-29-
SMILES Code: COC1=CC(/C=C(S/C(N2C3=CC=CC=C3CC)=N\C4=C(CC)C=CC=C4)\C2=O)=CC=C1OCC(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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 516.61 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: Zhao D, Chen C, Liu H, Zheng L, Tong Y, Qu D, Han S. Biological evaluation of halogenated thiazolo[3,2-a]pyrimidin-3-one carboxylic acid derivatives targeting the YycG histidine kinase. Eur J Med Chem. 2014 Nov 24;87:500-7. doi:10.1016/j.ejmech.2014.09.096. Epub 2014 Oct 2. PubMed PMID: 25282671.