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MedKoo Cat#: 561245 | Name: MK204
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Description:

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

MK204 is an AKR1B10 inhibitor. MK204 can make a strong halogen bond with the protein. AKR1B10 has evolved as a tumor marker and promising antineoplastic target. It shares high structural similarity with the diabetes target enzyme aldose reductase (AR).

Chemical Structure

MK204
MK204
CAS#1959605-73-2

Theoretical Analysis

MedKoo Cat#: 561245

Name: MK204

CAS#: 1959605-73-2

Chemical Formula: C16H9Br5ClNO4

Exact Mass: 708.6137

Molecular Weight: 714.22

Elemental Analysis: C, 26.91; H, 1.27; Br, 55.94; Cl, 4.96; N, 1.96; O, 8.96

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
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Related CAS #
No Data
Synonym
MK204; MK 204; MK-204
IUPAC/Chemical Name
2-[5-Chloro-2-[[[(2,3,4,5,6-pentabromophenyl)methyl]amino]carbonyl]phenoxy]-acetic acid
InChi Key
QYSFXUVFRUYJCZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)
SMILES Code
O=C(O)COC1=CC(Cl)=CC=C1C(NCC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=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
Product Data
Product Data
Certificate of Analysis
View CoA: current batch, Lot#M23P03S27
Safety Data Sheet (SDS)
View Safety Data Sheet (SDS)
Instruction
View handling instruction
Biological target:
MK204 is an AKR1B10 inhibitor.
In vitro activity:
Instead, the bulkier MK184, MK319, and MK204 open an inner specificity pocket in AKR1B10 characterized by a π-π stacking interaction of their aryl moieties and Trp112 side chain in the native conformation (not possible in AR). Among the three compounds, only MK204 can make a strong halogen bond with the protein (-4.4 kcal/mol, using QM calculations), while presenting the lowest desolvation cost among all the series, translated into the most selective and inhibitory potency AKR1B10 (IC50 = 80 nM). Reference: ACS Chem Biol. 2016 Oct 21;11(10):2693-2705. https://pubmed.ncbi.nlm.nih.gov/27359042/
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 714.22 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:
Cousido-Siah A, Ruiz FX, Fanfrlík J, Giménez-Dejoz J, Mitschler A, Kamlar M, Veselý J, Ajani H, Parés X, Farrés J, Hobza P, Podjarny AD. IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. ACS Chem Biol. 2016 Oct 21;11(10):2693-2705. doi: 10.1021/acschembio.6b00382. Epub 2016 Aug 5. PMID: 27359042.
In vitro protocol:
Cousido-Siah A, Ruiz FX, Fanfrlík J, Giménez-Dejoz J, Mitschler A, Kamlar M, Veselý J, Ajani H, Parés X, Farrés J, Hobza P, Podjarny AD. IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. ACS Chem Biol. 2016 Oct 21;11(10):2693-2705. doi: 10.1021/acschembio.6b00382. Epub 2016 Aug 5. PMID: 27359042.
In vivo protocol:
TBD
1: Cousido-Siah A, Ruiz FX, Fanfrlík J, Giménez-Dejoz J, Mitschler A, Kamlar M, Veselý J, Ajani H, Parés X, Farrés J, Hobza P, Podjarny AD. IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. ACS Chem Biol. 2016 Oct 21;11(10):2693-2705. Epub 2016 Aug 5. PubMed PMID: 27359042.