| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
EGFR L858R 0.147 nM (IC50) EGFR L858R/T790M 0.063 nM (IC50) EGFR L858R/T790M/C797S 0.083 nM (IC50) EGFRLT/L747S 0.396 nM (IC50)
|
|---|---|
| ln Vitro |
Despite the fact that JBJ-09-063 significantly increases apoptosis and is remarkably effective at inhibiting cell growth, H3255GR cells exhibit resistance to gefitinib when administered alone due to an EGFR T790M mutation[1]. When osimertinib-resistant mutations are expressed exogenously in H1975 cells, JBJ-09-063 is efficacious[1]. When JBJ-09-063 is used either by itself or in conjunction with cetuximab, Ba/F3 cells show IC50s of 50 nM and 6 nM [2].
|
| ln Vivo |
JBJ-09-063 (3 mg/kg iv, 20 mg/kg po) has favorable pharmacokinetic characteristics and is stable enough to provide good oral dosage results[2].
|
| Animal Protocol |
Animal/Disease Models: Mice[2]
Doses: 3 mg/kg for iv, 20 mg/kg for po Route of Administration: iv and po; single dosage Experimental Results: pharmacokinetic/PK Parameters of JBJ-09-063 in mice[2]. Cl (mL/min/kg), iv T1/2 (h) Vss (L/kg) F (%) AUC 8h (ng·h/mL) 15.7 2.3 2.5 15 2398 |
| References |
[1]. To C, et al. An allosteric inhibitor against the therapy-resistant mutant forms of EGFR in non-small cell lung cancer. Nat Cancer. 2022 Apr;3(4):402-417.
|
| Molecular Formula |
C31H29FN4O3S
|
|---|---|
| Exact Mass |
556.194
|
| CAS # |
2820336-67-0
|
| Related CAS # |
JBJ-09-063 TFA;JBJ-09-063 hydrochloride
|
| PubChem CID |
163358785
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
4.9
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
40
|
| Complexity |
896
|
| Defined Atom Stereocenter Count |
0
|
| InChi Key |
SYTVDTWRIZNVEW-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C31H29FN4O3S/c1-35-13-10-21(11-14-35)19-2-4-20(5-3-19)22-6-7-23-18-36(30(39)25(23)16-22)28(26-17-24(32)8-9-27(26)37)29(38)34-31-33-12-15-40-31/h2-9,12,15-17,21,28,37H,10-11,13-14,18H2,1H3,(H,33,34,38)
|
| Chemical Name |
2-(5-fluoro-2-hydroxyphenyl)-2-[5-[4-(1-methylpiperidin-4-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: 120 mg/mL (215.58 mM)
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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