1. Membrane Transporter/Ion Channel
    Anti-infection
  2. Na+/K+ ATPase
    Parasite
  3. (+)-SJ733

(+)-SJ733 (Synonyms: SJ000557733)

Cat. No.: HY-19556 Purity: 99.45% ee.: 99.88%
Handling Instructions

(+)-SJ733 is a clinical candidate for malaria which can also inhibit Na+-ATPase PfATP4.

For research use only. We do not sell to patients.

(+)-SJ733 Chemical Structure

(+)-SJ733 Chemical Structure

CAS No. : 1424799-20-1

Size Price Stock Quantity
10 mM * 1 mL in DMSO USD 730 In-stock
Estimated Time of Arrival: December 31
1 mg USD 228 In-stock
Estimated Time of Arrival: December 31
5 mg USD 708 In-stock
Estimated Time of Arrival: December 31
10 mg USD 1188 In-stock
Estimated Time of Arrival: December 31
50 mg USD 3588 In-stock
Estimated Time of Arrival: December 31
100 mg USD 5040 In-stock
Estimated Time of Arrival: December 31
200 mg   Get quote  
500 mg   Get quote  

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Description

(+)-SJ733 is a clinical candidate for malaria which can also inhibit Na+-ATPase PfATP4.

IC50 & Target

Parasite, Na+-ATPase PfATP4[1]

In Vitro

(+)-SJ733 binds to a single receptor site in P. falciparum-infected erythrocytes with equivalent affinity to its growth-inhibitory potency (kd=50 nM). (+)-SJ733 has not exhibited either significant safety liabilities at any dose in extensive profiling in vitro or significant safety or tolerability liabilities in either single- or repeat-dose studies at any dose tested in any preclinical species (no observed adverse effect level and maximum tolerated dose >240 mg/kg from 7-d repeat dosing study in rat). Therefore, (+)-SJ733 is expected to have a safety margin of at least 43-fold[1].

In Vivo

Treatment of P. falciparum-infected NOD-scid IL2Rγnull mice with (+)-SJ733 causes rapid clearance of parasites, which are 80% depleted within the first 24 h and undetectable by 48 h. (+)-SJ733 is highly potent and efficacious against P. falciparum 3D70087/N9 in vivo when administered as four sequential daily oral doses in the NOD-scid IL2Rγnull mouse model, with a 90% effective dose, (ED90 1.9 mg/kg) and exposure [area under the curve at ED90 (AUCED90), 1.5 μM⋅h] superior to artesunate (11.1 mg/kg; AUCED90 not determined), chloroquine (4.3 mg/kg; AUCED90 3.1 μM⋅h), and pyrimethamine (0.9 mg/kg; AUCED90 5. μM⋅h) in the same model. When treated with the ED90 dose, (+)-SJ733 concentrations in blood remain above the average in vitro EC90 for 6 to 10 h after each dose[1].

Storage
Powder -20°C 3 years
  4°C 2 years
In solvent -80°C 6 months
  -20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 50 mg/mL (106.75 mM; Need ultrasonic)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 2.1349 mL 10.6746 mL 21.3493 mL
5 mM 0.4270 mL 2.1349 mL 4.2699 mL
10 mM 0.2135 mL 1.0675 mL 2.1349 mL
*Please refer to the solubility information to select the appropriate solvent.
In Vivo:
  • 1.

    Add each solvent one by one:  10% DMSO    90% (20% SBE-β-CD in saline)

    Solubility: ≥ 2.5 mg/mL (5.34 mM); Clear solution

  • 2.

    Add each solvent one by one:  10% DMSO    90% corn oil

    Solubility: ≥ 2.5 mg/mL (5.34 mM); Clear solution

  • 3.

    Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% saline

    Solubility: ≥ 2.5 mg/mL (5.34 mM); Clear solution

*All of the co-solvents are provided by MCE.
References
Cell Assay
[1]

10 mL of asynchronous culture suspensions (2% hematocrit), at different parasite densities (104, 105, 106, 107, and 108 parasites), are added to each well of a 6-well plate. (+)-SJ733 is added to each well to make a final compound concentration of 1.8 μM, corresponding to 30×EC50 of the compound. Three wells are used for each parasite density. Plates are incubated at 37° C under an atmosphere of 90% N2, 5% O2, 5% CO2 for 90 days under constant drug pressure. The media of each well is replaced 3 times a week with freshly made media containing a compound concentration of 30×EC50. In addition, each well is split (1:2) once a week. Parasite outgrowth is monitored 3 times a week by transferring quadruplicate 40 μL aliquots from each well into a 384-well assay plate and determining parasitemia by a previously described method[1].

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Administration
[1]

The pharmacokinetics of (+)-SJ733 are studied in overnight-fasted male Sprague Dawley rats weighing 267 to 291 g predose. Rats have access to water ad libitum throughout the pre- and post-dose sampling period, and access to food is reinstated 4 h post-dose. (+)-SJ733 is administered intravenously as a 10 min constant rate infusion (1.0 mL per rat, n=3 rats) and orally by gavage (10 mL/kg, n=3 rats). The IV formulation consists of pH 7.4 isotonic phosphate buffered saline containing 1% (w/v) hydroxypropyl-β-cyclodextrin, 10% (v/v) ethanol, 10% (v/v) propylene glycol and 40% (v/v) PEG400 whereas the oral formulation is an aqueous suspension in 0.5% (w/v) hydroxypropyl methylcellulose, 0.5% (v/v) benzyl alcohol and 0.4% (v/v) Tween80. Aliquots of the formulations are retained for analysis of the actual dose administered. Samples of arterial blood and total urine are collected at various time points up to 24 h post-dose[1].

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

References
Molecular Weight

468.40

Formula

C₂₄H₁₆F₄N₄O₂

CAS No.

1424799-20-1

SMILES

O=C([[email protected]@H](C1=C2C=CC=C1)[[email protected]@H](C3=CC=CN=C3)N(CC(F)(F)F)C2=O)NC4=CC=C(F)C(C#N)=C4

Shipping

Room temperature in continental US; may vary elsewhere

Purity: 99.45% ee.: 99.88%

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Product Name:
(+)-SJ733
Cat. No.:
HY-19556
Quantity:

(+)-SJ733

Cat. No.: HY-19556