[CAS NO. 2834087-69-1] HIV-1 inhibitor-50
PRODUCTS SPECIFICATIONS [2834087-69-1]
DESCRIPTION [2834087-69-1]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 427.43 |
| Molecular Formula | C24H18FN5O2 |
| SMILES | CC1=C(OC2=C3COCC3=NC(NC4=CC(F)=C(C=C4)C#N)=N2)C(C)=CC(/C=C/C#N)=C1 |
Summary
IC50 & Target
|
HIV-1 (WT) 3.04 nM (EC 50 ) |
HIV-1 (L100I) 3.04 nM (EC 50 ) |
HIV-1 (K103N) 2.87 nM (EC 50 ) |
HIV-1 (Y181C) 10.2 nM (EC 50 ) |
HIV-1 (Y188L) 13.2 nM (EC 50 ) |
|||
|
HIV-1 (E138K) 9.77 nM (EC 50 ) |
HIV-1 (F227L+V106A) 19.8 nM (EC 50 ) |
||||||
In Vitro
HIV-1 inhibitor-50 (compound 36a) protects MT-4 cells from HIV-1 IIIB and RES056 with EC
50
s of 2.22 nM and 53.3 nM, respectively
[1]
.
HIV-1 inhibitor-50 inhibits MT-4 cells viability with an CC
50
value of 45.6 μM
[1]
.
HIV-1 inhibitor-50 (hydrochloride; ) shows a lower intrinsic clearance rates in microsomes (CL=87.6 μL/min/mg) and liver (CL=16.6 μL/min/mg), and leads to a higher metabolic stability (T
1/2
=11.3 min)
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Cell Viability Assay [1]
| Cell Line: | MT-4 cells |
| Concentration: | |
| Incubation Time: | |
| Result: | Inhibited HIV-1 infection in MT-4 cells with EC 50 values of 3.04 nM (L100I), 2.87 nM (K103N), 10.2 nM (Y181C), 13.2 nM (Y188L), 9.77 nM (E138K), 19.8 nM (F227L+V106A), respectively. |
In Vivo
HIV-1 inhibitor-50 (compound 36a) (hydrochloride; 2 mg/kg; i.v.; single dose) has a high clearance (CL=103 L/h/kg) and a modest half-life (T
1/2
=1.43 h)
[1]
.
HIV-1 inhibitor-50 (hydrochloride; 2000 mg/kg; p.o.; single dose) doesn’t result any abnormal behaviors or significant changes in body weight compared with the control in 7 days, indicating no acute toxicity
[1]
.
Pharmacokinetic Analysis
[1]
| Route | Dose (mg/kg) | T 1/2 (h) | T max (h) | C max (ng/mL) | AUC 0-t (h·ng/mL) | AUC 0-∞ (h·ng/mL) | CL (L/h/kg) | F (%) |
| i.v. | 2 | 1.43 | 0 | 484 | 250 | 255 | 103 | / |
| p.o. | 10 | 5.12 | 0.25 | 37.5 | 107 | 154 | / | 12.1 |
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
Please store the product under the recommended conditions in the Certificate of Analysis.