MDK-0485

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

MedKoo CAT#: 561150

CAS#: 1303470-48-5

Description: MDK-0485, also known as KHK-IN-1, is a ketohexokinase (KHK) inhibitor. The last four digits of the compound's CAS registry number are used in its name. MDK-0485 interacts with Asp-27B in the ATP-binding region of KHK. MDK-0485 has potential for the treatment of diabetes and obesity.


Chemical Structure

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MDK-0485
CAS# 1303470-48-5

Theoretical Analysis

MedKoo Cat#: 561150
Name: MDK-0485
CAS#: 1303470-48-5
Chemical Formula: C21H27ClN8S
Exact Mass: 0.00
Molecular Weight: 459.013
Elemental Analysis: C, 54.95; H, 5.93; Cl, 7.72; N, 24.41; S, 6.98

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: MDK-0485; MDK0485; MDK 0485

IUPAC/Chemical Name: N8-Cyclopropylmethyl-N4-(2-methylsulfanyl-phenyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidine-4,8-diamine hydrochloride

InChi Key: VKIBPWKARAEIHN-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H26N8S.ClH/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29;/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28);1H

SMILES Code: CSC1=CC=CC=C1NC2=C(N=CN=C3NCC4CC4)C3=NC(N5CCNCC5)=N2.[H]Cl

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:

Preparing Stock Solutions

The following data is based on the product molecular weight 459.01 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:
In vitro protocol:
In vivo protocol:

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1: Maryanoff BE, O'Neill JC, McComsey DF, Yabut SC, Luci DK, Jordan AD Jr, Masucci JA, Jones WJ, Abad MC, Gibbs AC, Petrounia I. Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett. 2011 Apr 18;2(7):538-43. doi: 10.1021/ml200070g. eCollection 2011 Jul 14. Erratum in: ACS Med Chem Lett. 2012 Mar 8;3(3):263. PubMed PMID: 24900346; PubMed Central PMCID: PMC4018111.

2: Maryanoff BE, O'Neill JC, McComsey DF, Yabut SC, Luci DK, Gibbs AC, Connelly MA. Pyrimidinopyrimidine inhibitors of ketohexokinase: exploring the ring C2 group that interacts with Asp-27B in the ligand binding pocket. Bioorg Med Chem Lett. 2012 Aug 15;22(16):5326-9. doi: 10.1016/j.bmcl.2012.06.008. Epub 2012 Jun 17. PubMed PMID: 22795331.