| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
BET (IC50: 5.35 nM)
|
|---|---|
| ln Vitro |
In particular, BET-IN-14 (Compound 171) (72 h) demonstrated anti-tumor action against MM.1S, Ty-82, MV-4-11, and KG-1 cells (average IC50: 174.7 nM) [1].
|
| ln Vivo |
In mice with MV-4-11 xenograft tumors, BET-IN-14 (Compound 171) (50 and 100 mg/kg, po, qd) inhibits tumor growth [1].
|
| Cell Assay |
Cell Viability Assay[1]
Cell Types: NCI-H522, RKO, NCI-H1299, MM.1S, Ty- 82, MV-4-11, and KG-1 cells Tested Concentrations: 0-1 μM approximately Incubation Duration: 72 h Experimental Results: demonstrated anti-tumor activity with average IC50 of 174.7 nM. |
| Animal Protocol |
Animal/Disease Models: Human MV-4-11 xenografts in Balb/c nude mice[1]
Doses: 50 and 100 mg/kg Route of Administration: po, qd Experimental Results: Inhibited tumor growth by 60.36%. |
| References |
| Exact Mass |
527.301
|
|---|---|
| CAS # |
2243669-93-2
|
| PubChem CID |
146322290
|
| Appearance |
Light yellow to yellow solid powder
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
39
|
| Complexity |
881
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
C[C@@H]1C(=O)N(C2=C(N1C3CCCC3)C=C(C=C2)C4=NC(=NN4C5=CC=C(C=C5)C)C(=O)N6CCN(CC6)C)C
|
| InChi Key |
RRASMEQGOOPKTF-OAQYLSRUSA-N
|
| InChi Code |
InChI=1S/C30H37N7O2/c1-20-9-12-24(13-10-20)37-28(31-27(32-37)30(39)35-17-15-33(3)16-18-35)22-11-14-25-26(19-22)36(23-7-5-6-8-23)21(2)29(38)34(25)4/h9-14,19,21,23H,5-8,15-18H2,1-4H3/t21-/m1/s1
|
| Chemical Name |
(3R)-4-cyclopentyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
|
| 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: ~100 mg/mL (~189.5 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (4.74 mM) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (4.74 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: 2.5 mg/mL (4.74 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (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.
Products are for research use only; We do not sell to patients
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