| Identification | Back Directory | [Name]
PDEδ-IN-99 | [CAS]
1841464-21-8 | [Synonyms]
PDEδ-IN-99
K-Ras-PDEδ-IN-1
N-(4-fluorophenethyl)-4-(4-methyl-7-oxo-2-(p-tolyl)-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide
6H-Pyrazolo[3,4-d]pyridazine-6-butanamide, N-[2-(4-fluorophenyl)ethyl]-2,7-dihydro-4-methyl-2-(4-methylphenyl)-7-oxo- | [Molecular Formula]
C25H26FN5O2 | [MDL Number]
MFCD32856841 | [MOL File]
1841464-21-8.mol | [Molecular Weight]
447.5 |
| Chemical Properties | Back Directory | [density ]
1.27±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Solid | [pka]
15.85±0.46(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
K-Ras-PDEδ-IN-1 is a novel and potent competitive K-Ras-PDEδ inhibitor. K-Ras-PDEδ-IN-1 binds to the farnesyl binding pocket of PDEδ with a low nanomolar Kd of 8 nM[1]. | [in vivo]
K-Ras-PDEδ-IN-1 (oral or intraperitoneal injection; 10 mg/kg; single dose) is in different vehicles (A=5% Tween-80, 50% NaCl, 45% H2O; B=20% DMSO, 80% PEG200; C=15% DMSO, 9.5% Cremophor EL/EtOH (1:1), 75.5 % H2O) for oral and intraperitoneal (IP) administration.whereas only very low compound levels are found in plasma after oral dosage, but significantly higher plasma concentrations are found after IP administration in vehicle A, B or C at 10 mg kg[1].K-Ras-PDEδ-IN-1 (intravenous injection; 3 mg kg; single dose; 24 hours) shows a significant increase of the plasma exposure as well as the terminal half-life (t1/2=0.4 hours)when compares to compound 93,exhibits a t1/2, CO, AUC0-tz, AUC0.inf-obs, Clobs, and Vss0-inf-obs values of 4.1 hours, 2790.9 ng/ml, 1646.4 h.ng/ml, 1662.5 h.ng/ml, 1.8 L/h/kg, 5.9 l/kg[1]. | [IC 50]
PDE4: 8.3 nM (Kd) | [References]
[1] Sandip Murarka, et al. Development of Pyridazinone Chemotypes Targeting the PDEδ Prenyl Binding Site. Chemistry. 2017 May 2;23(25):6083-6093. DOI:10.1002/chem.201603222 |
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| Company Name: |
InvivoChem
|
| Tel: |
13549236410 |
| Website: |
https://www.invivochem.cn/ |
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