MDK-0485 | CAS#1303470-48-5 | KHK inhibitor

MedKoo Cat#: 561150 | Name: MDK-0485

Description:

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

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

MDK-0485

CAS#1303470-48-5

Theoretical Analysis

MedKoo Cat#: 561150

Name: MDK-0485

CAS#: 1303470-48-5

Chemical Formula: C21H27ClN8S

Exact Mass:

Molecular Weight: 459.01

Elemental Analysis: C, 54.95; H, 5.93; Cl, 7.72; N, 24.41; S, 6.98

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.

Bulk Inquiry

Related CAS #

No Data

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

Instruction

View handling instruction

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.

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: 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.