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| 5mg |
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| 10mg |
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| ln Vitro |
Compound 38, BET bromodomain inhibitor 1 (31.25-125 nM; 24 hr) induces a more prominent G1-phase cell cycle arrest[1]. The highly effective BET bromodomain inhibitor 1 (31.25-500 nM; 6 or 24 hours) inhibits c-Myc expression in a dose-dependent manner and upregulates p21 levels[1]. BET bromodomain inhibitor 1 (31.25-125 nM; 6 hours) significantly lowers CDK6, BCL-2, and c-Myc expressions.[1]. Five cytochrome P450 enzymes (IC50>20 μM) are not inhibited by BET bromodomain inhibitor 1[1]. With an approximately 15000-fold selectivity for BRD4(1) over EP300 (IC50=3857 nM), BET bromodomain inhibitor 1 exhibits exceptional selectivity for the BET bromodomain family over other bromodomains[1]. With IC50 values of 2.4, 4.8, 17.6, and 15.1 nM, respectively, BET bromodomain inhibitor 1 significantly suppressed the growth of acute myeloid leukemia cell line MV4-11, acute leukemia cell lines Kasumi-1 and RS-4-11, and multiple myeloma cancer cell line MM1.S cells[1].
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| ln Vivo |
Compound 38, also known as BET bromodomain inhibitor 1 (PO; 6.25, 12.5 mg/kg; daily; for 28 days), has more potent anticancer effects and totally stops tumor development at 12.5 mg/kg (tumor growth inhibition [TGI] of 99.7% [1]. For rats and mice, respectively, BET bromodomain inhibitor 1 (1 mg/kg; IV) had a T1/2 of 1.3 and 0.9 hours, a CL of 21.5 and 15.3 mL/min·kg, and a Vss of 1464 and 782 mL/kg[1]. Rats' T1/2 is 3.6 hours, Cmax is 159 ng/mL, and AUC is 884 ng·h/mL for BET bromodomain inhibitor 1 (3 mg/kg; PO)[1]. For mice, BET bromodomain inhibitor 1 (1.3 mg/kg; PO) shows an AUC of 1710 ng·h/mL, a Cmax of 399 ng/mL, and a T1/2 of 1.3 hours[1].
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| Cell Assay |
Cell Cycle Analysis[1]
Cell Types: MV-4-11 cells Tested Concentrations: 31.25, 62.5, 125 nM Incubation Duration: 24 hrs (hours) Experimental Results: Led to more pronounced G1-phase cell cycle arrest. Western Blot Analysis[1] Cell Types: MV-4-11 cells Tested Concentrations: 31.25, 62.5, 125, 250, 500 nM Incubation Duration: 6 or 24 hrs (hours) Experimental Results: Induced dose-dependent inhibition on c-Myc expression and upregulation of p21 levels. RT-PCR[1] Cell Types: MV-4-11 cells Tested Concentrations: 31.25, 62.5, 125 nM Incubation Duration: 6 hrs (hours) Experimental Results: Robustly decreased the expressions of c-Myc, BCL-2, and CDK6. |
| Animal Protocol |
Animal/Disease Models: An MV4-11 mouse xenograft model[1]
Doses: 6.25, 12.5 mg/kg Route of Administration: PO; daily; for 28 days Experimental Results: demonstrated stronger antitumor activities and completely inhibited the growth of tumor with a tumor growth inhibition (TGI) of 99.7 % at 12.5 mg/kg. Animal/Disease Models: Male SD rats[1] Doses: 1 mg/kg (pharmacokinetic/PK Analysis) Route of Administration: IV Experimental Results: Had a T1/2 of 1.3 hrs (hours), a CL of 21.5 mL/min·kg, and a Vss of 1464 mL/kg. |
| References |
| Molecular Formula |
C20H15N3O2CL2
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|---|---|
| Molecular Weight |
400.258
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| Exact Mass |
445.131
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| CAS # |
1505453-59-7
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| PubChem CID |
72203613
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| Appearance |
White to off-white solid powder
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| LogP |
4.607
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
727
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=NOC2=C1C3=C(C=C(C=C3)C4=CN(N=C4)C)C(=N[C@H]2CC(=O)N)C5=CC=C(C=C5)Cl
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| InChi Key |
QFLGNZXBWIQDLQ-FQEVSTJZSA-N
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| InChi Code |
InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1
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| Chemical Name |
2-[(4S)-6-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~224.27 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.61 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (5.61 mM) (saturation unknown) 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. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.61 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4984 mL | 12.4919 mL | 24.9838 mL | |
| 5 mM | 0.4997 mL | 2.4984 mL | 4.9968 mL | |
| 10 mM | 0.2498 mL | 1.2492 mL | 2.4984 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
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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