YYSW001 |
YYSW001 : Inhibitor of JAK1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| JAK1 |
|
|
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
KinomeSCAN Screening at concentration of 1000 nM, against a panel of 403 kinases demonstrated remark ...
Selectivity Assessment Description:
YYSW001 potently inhibited only two kinases, which were the intended target JAK1 and the only off-ta ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
GM-CSF-induced STAT5 phosphorylation (JAK2-STAT5 IC50 = 5.530 μM).
Potency Cellular
In Vitro
JAK1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1021/acs.jmedchem.5c03183
In Vivo Validations
Rat
Dose: 3 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
2.8 ± 0.3 h
Systemic clearance:
0.7 ± 0.1 L/h/Kg
Area Under the Curve::
3831.25 ± 547.5 h·μg/L
Volume of Distribution at Steady-State:
3.1 ± 0.4 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c03183
Dose: 3 mg/Kg
Route of delivery:
Oral
Plasma half life:
2.8 ± 0.2 h
Systemic clearance:
1.2 ± 0.2 L/h/Kg
Cmax:
328.61 ± 86.7 μg/L
Tmax:
3.0 ± 1.1 h
Area Under the Curve::
2277.65 ± 438.1 h·μg/L
Bioavailability:
61.8%
Volume of Distribution at Steady-State:
5.0 ± 1.0 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c03183
Dose: 5 mg/Kg
Route of delivery:
Intravenous
Plasma half life:
1.96 ± 0.33 h
Systemic clearance:
2.41 ± 0.13 L/h/Kg
Area Under the Curve::
2054.79 ± 110.71 h·μg/L
Volume of Distribution at Steady-State:
6.78 ± 1.05 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c03183
Dose: 10 mg/Kg
Route of delivery:
Oral
Plasma half life:
2.2 ± 0.6 h
Systemic clearance:
1.1 ± 0.1 L/h/kg
Cmax:
1323.53 ± 328.2 μg/L
Tmax:
3.2 ± 1.3 h
Area Under the Curve::
8543.24 ± 971.2 h·μg/L
Bioavailability:
65.6%
Volume of Distribution at Steady-State:
3.6 ± 1.3 L/Kg
DOI Reference: 10.1021/acs.jmedchem.5c03183
Chemical Information
| Molecular Formula | C18H20F5N5O |
| SMILEs | C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCN(CCC(F)(F)C(F)(F)F)C1 |
| InChI | InChI=1S/C18H20F5N5O/c1-10(29)16-26-13-8-25-15-12(2-5-24-15)14(13)28(16)11-3-6-27(9-11)7-4-17(19,20)18(21,22)23/h2,5,8,10-11,29H,3-4,6-7,9H2,1H3,(H,24,25)/t10-,11+/m1/s1 |
| Molecular weight | 417.16 Da |
| AlogP | 3.8004000000000024 |
| HBond acceptors | 6 |
| HBond donors | 2 |
| Atoms | 49 |