| Identification | Back Directory | [Name]
KHK-IN-1 | [CAS]
1303469-70-6 | [Synonyms]
KHK-IN-1
KHK-IN-8
Ketohexokinase inhibitor 8
KHK IN 1,KHKIN1,inhibit,Inhibitor
KHK-IN-8
(Ketohexokinase inhibitor 8)
Pyrimido[5,4-d]pyrimidine-4,8-diamine, N8-(cyclopropylmethyl)-N4-[2-(methylthio)phenyl]-2-(1-piperazinyl)- | [Molecular Formula]
C21H26N8S | [MDL Number]
MFCD28963911 | [MOL File]
1303469-70-6.mol | [Molecular Weight]
422.55 |
| Chemical Properties | Back Directory | [Boiling point ]
646.4±65.0 °C(Predicted) | [density ]
1.37±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
Soluble in DMSO | [pka]
8.40±0.10(Predicted) |
| Hazard Information | Back Directory | [Uses]
KHK-IN-1 (compound 8) is a selective and cell membrane permeable ketohexokinase (KHK) inhibitor (IC50=12 nM; F=34%). KHK-IN-1 inhibits the production of F1P in HepG2 cell lysates (IC>sub>50=400 nM). KHK-IN-1 has potential for the study of diabetes and obesity[1]. | [in vivo]
KHK-IN-1 (10 mg/kg; p.o.; single) shows oral bioavailability of 34% in rats[1]. | Animal Model: | Male Sprague-Dawley rats (~250 g)[1]. | | Dosage: | 10 mg/kg | | Administration: | Oral gavage; single | | Result: | Exhibited reasonable oral bioavailability in rats (F=34%; oral t1/2=4 h), but had a high volume of distribution (Vdss= 32 L/kg) and a high rate of clearance (CL=160 mL/min/kg). |
| [References]
[1] 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. DOI:10.1021/ml200070g |
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Musechem
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BOC Sciences
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www.bocsci.com |
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