| Size | Price | Stock | Qty |
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| ln Vitro |
High-throughput screening of a wide chemical library found the 2,6-diamino-substituted purine TN1, which produces fetal hemoglobin (HbF) more efficiently than hydroxyurea in KU812 and K562 leukemia cell lines. TN1 raises HbF protein in both leukemias KU812 and K562 cells in a dose-dependent manner. At 100 nM concentration, Western blot examination showed that TN1 boosted γ-globin expression (2.9-fold and 3.7-fold in KU812 cells and K562 cells, respectively) to greater levels than 50-100 μM HU (1.8-fold increase in KU812 cells and K562 cells, respectively). times and 1.9-fold) in KU812 cells and K562 cells, respectively), the first medication licensed for the treatment of SCD. The EC50 values of TN1-mediated HbF induction were nearly three orders of magnitude lower than those of HU (HU: EC50=50-100 μM; TN1: EC50=100 nM). Furthermore, TN1 is more powerful than many previously described small-molecule HbF inducers, including sodium butyrate and other histone deacetylase (HDAC) inhibitors. TN1, along with hemin and HU, enhanced γ-globin mRNA transcription (more than fourfold) at the quantities tested, demonstrating that TN1 increases γ-globin levels at both the transcriptional and protein levels. The time course of TN1-induced γ-globin mRNA and protein production was examined and both increased around 24 h after treatment. Similar to hydroxyurea, TN1 induces β-globin mRNA in addition to γ-globin mRNA [1].
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| References |
| Molecular Formula |
C29H31N7O2
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|---|---|
| Molecular Weight |
509.6021
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| Exact Mass |
509.253
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| CAS # |
289479-94-3
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| PubChem CID |
69828124
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| Appearance |
White to off-white solid powder
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| LogP |
5
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
38
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| Complexity |
842
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O([H])C1([H])C([H])([H])C([H])([H])C([H])(C([H])([H])C1([H])[H])N([H])C1=NC(=C2C(N(C([H])=N2)C([H])([H])C([H])([H])[H])=N1)N([H])C1C([H])=C([H])C([H])=C(C=1[H])N([H])C(C#CC1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])=O
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| InChi Key |
QPFYQTIUHLNNSI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H31N7O2/c1-3-36-18-30-26-27(34-29(35-28(26)36)33-21-12-14-24(37)15-13-21)32-23-6-4-5-22(17-23)31-25(38)16-11-20-9-7-19(2)8-10-20/h4-10,17-18,21,24,37H,3,12-15H2,1-2H3,(H,31,38)(H2,32,33,34,35)
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| Chemical Name |
N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-3-(4-methylphenyl)prop-2-ynamide
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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 (~196.23 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.91 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 (4.91 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 25.0 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 | 1.9623 mL | 9.8116 mL | 19.6232 mL | |
| 5 mM | 0.3925 mL | 1.9623 mL | 3.9246 mL | |
| 10 mM | 0.1962 mL | 0.9812 mL | 1.9623 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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