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HDACs/mTOR Inhibitor 1 is a novel and potent dual inhibitor of Histone Deacetylases (HDACs) and mammalian target of Rapamycin (mTOR) with potential anticancer activity.
| ln Vitro |
HDACs/mTOR Inhibitor 1 (Compound 12l) suppresses the growth of the cell cycle; the 50s of MV4-11, OCI-AML2, and OCI-AML3IC are, respectively, 4.05, 9.01, and 9.98 μM [1]. mTOR Inhibitor 1 and HDACs (0-10 μM) HDACs/mTOR Inhibitor 1 (10 to 1000 nM, 48 h) decreases the S phase in MV4-11 cells, and 6 or 24 hours later, it decreases the p-ERK levels in MV4-11 cells while increasing the levels of Ac-H3 [1].
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|---|---|
| ln Vivo |
In the MV4-11 and MM1S xenograft NOD/SCID tumor models, HDACs/mTOR Inhibitor 1 (Compound 12l) (10 or 20 mg/kg, tail vein injection) did not exhibit any overt toxicity in terms of central tumor growth [1].
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: MV4-11 cells Tested Concentrations: 0.01, 0.1, 1, 10 μM Incubation Duration: 6 h or 24 h Experimental Results: p-ERK down-regulated and increased the percentage of G0/G1 phase cells[1]. (24 h) and Ac-H3 (6 h) increased in a dose-dependent manner. |
| Animal Protocol |
Animal/Disease Models: MV4-11 xenograft NOD/SCID mouse model [1]
Doses: 10 mg/kg Route of Administration: intravenous (iv) (iv)injection, every two days (Q2D) × 6 Experimental Results: TGI (tumor growth inhibition rate) was 53.1 %. |
| References |
| Molecular Formula |
C28H38N8O5
|
|---|---|
| Molecular Weight |
566.651925563812
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| Exact Mass |
566.296
|
| CAS # |
2271413-06-8
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| PubChem CID |
137628684
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| Appearance |
White to off-white solid powder
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| LogP |
1.5
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
10
|
| Heavy Atom Count |
41
|
| Complexity |
840
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
O1CCN(C(NC2C=CC(=CC=2)C2N=C3C(C=NN3CCCCCCC(NO)=O)=C(N=2)N2CCOCC2)=O)C[C@H]1C
|
| InChi Key |
YPXRCUVTZDXVHY-HXUWFJFHSA-N
|
| InChi Code |
InChI=1S/C28H38N8O5/c1-20-19-35(14-17-41-20)28(38)30-22-9-7-21(8-10-22)25-31-26(34-12-15-40-16-13-34)23-18-29-36(27(23)32-25)11-5-3-2-4-6-24(37)33-39/h7-10,18,20,39H,2-6,11-17,19H2,1H3,(H,30,38)(H,33,37)/t20-/m1/s1
|
| Chemical Name |
(2R)-N-[4-[1-[7-(hydroxyamino)-7-oxoheptyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-2-methylmorpholine-4-carboxamide
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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 : ~32.5 mg/mL (~57.35 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.17 mg/mL (3.83 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 21.7 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: ≥ 2.17 mg/mL (3.83 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 21.7 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7648 mL | 8.8238 mL | 17.6476 mL | |
| 5 mM | 0.3530 mL | 1.7648 mL | 3.5295 mL | |
| 10 mM | 0.1765 mL | 0.8824 mL | 1.7648 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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