MedKoo Cat#: 561246 | Name: MK181

Description:

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

MK181 is an AKR1B10 inhibitor. MK181 can bind into the external loop A subpocket. 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

MK181
MK181
CAS#314297-32-0

Theoretical Analysis

MedKoo Cat#: 561246

Name: MK181

CAS#: 314297-32-0

Chemical Formula: C16H13BrClNO4

Exact Mass: 396.9716

Molecular Weight: 398.64

Elemental Analysis: C, 48.21; H, 3.29; Br, 20.04; Cl, 8.89; N, 3.51; O, 16.05

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.
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Related CAS #
No Data
Synonym
MK181; MK 181; MK-181
IUPAC/Chemical Name
2-[2-[[[(4-Bromophenyl)methyl]amino]carbonyl]-5-chlorophenoxy]-acetic acid
InChi Key
PAOIFRPAIJVWIK-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21)
SMILES Code
O=C(O)COC1=CC(Cl)=CC=C1C(NCC2=CC=C(Br)C=C2)=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

Preparing Stock Solutions

The following data is based on the product molecular weight 398.64 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: 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.