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KHK-IN-1

Names

[ CAS No. ]:
1303469-70-6

[ Name ]:
KHK-IN-1

[Synonym ]:
Pyrimido[5,4-d]pyrimidine-4,8-diamine, N8-(cyclopropylmethyl)-N4-[2-(methylthio)phenyl]-2-(1-piperazinyl)-
N8-(Cyclopropylmethyl)-N4-[2-(methylsulfanyl)phenyl]-2-(1-piperazinyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
N8-(Cyclopropylmethyl)-N4-[2-(Methylsulfanyl)phenyl]-2-(Piperazin-1-Yl)pyrimido[5,4-D]pyrimidine-4,8-Diamine

Biological Activity

[Description]:

KHK-IN-1 is a potent ketohexokinase (KHK) inhibitor with IC50 of 12 nM; interacts with Asp-27B in the ATP-binding region of KHK.

[Related Catalog]:

Signaling Pathways >> Others >> Others
Research Areas >> Others

[References]

[1]. Maryanoff BE, et al. 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.

[2]. Maryanoff BE, et al. 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.


[Related Small Molecules]

Captisol | Cyclosporin A | H2DCFDA | 0MPTP hydrochloride | GW4869 | Etomoxir | TD139 | Mitoquinone mesylate | GSK2795039 | JC-1 | BAPTA-AM | AP 20187 | Setanaxib (GKT137831) | D-Luciferin | Crotaline

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
646.4±65.0 °C at 760 mmHg

[ Molecular Formula ]:
C21H26N8S

[ Molecular Weight ]:
422.550

[ Flash Point ]:
344.7±34.3 °C

[ Exact Mass ]:
422.200104

[ LogP ]:
1.33

[ Vapour Pressure ]:
0.0±1.9 mmHg at 25°C

[ Index of Refraction ]:
1.717

[ Storage condition ]:
2-8℃

Related Compounds