| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
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| ln Vitro |
Dot1L-IN-4 (Compound 10) was examined in cellular assays to assess its capacity to suppress HOXA9 gene expression in Molm-13 cells (ED50 HOXA9 RGA=33)nm) and H3K79 dimethylation in HeLa cells (ED50 H3K79me2 Elisa=1.7 nM). Additionally, dot1L-IN-4, with an IC50 of 99 µM, inhibits mixed lineage leukemia (MLL) [1].
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|---|---|
| ln Vivo |
At such high doses, tumor-bearing xenograft mice did not tolerate Dot1L-IN-4 (Compound 10; 300 mg/kg; po; qd); at 6-fold decreased doses, however, tumors and the HOXA9 reporter increased. The reduction in gene mRNA was less than half as compared to control animals [1].
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| Animal Protocol |
Animal/Disease Models: Male mice (C57BL/6) with subcutaneousMV4-11 tumor xenografts [1]
Doses: 300 mg/kg (pharmacokinetic/PK/PK analysis) Route of Administration: Po Experimental Results: With tumor xenografts The mice were unable to tolerate such high doses, and tumor growth as well as HOXA9 reporter mRNA was diminished by less than half when the dose was diminished 6-fold compared with control animals. |
| References |
| Molecular Formula |
C28H27CLF2N8O5S
|
|---|---|
| Molecular Weight |
661.0794
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| Exact Mass |
660.148
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| Elemental Analysis |
C, 50.87; H, 4.12; Cl, 5.36; F, 5.75; N, 16.95; O, 12.10; S, 4.85
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| CAS # |
2565705-02-2
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| PubChem CID |
145704695
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| Appearance |
White to light yellow solid powder
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| LogP |
4.5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
15
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
45
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| Complexity |
1090
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| Defined Atom Stereocenter Count |
1
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| SMILES |
COC1=NC(=NC(=N1)N2CCNCC2)NC3=C(C=CC(=C3)S(=O)(=O)C)N[C@@H](C4=C5C(=CC=C4)OC(O5)(F)F)C6=C(C=CC=N6)Cl
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| InChi Key |
QJIMSJUUARCROQ-QFIPXVFZSA-N
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| InChi Code |
InChI=1S/C28H27ClF2N8O5S/c1-42-27-37-25(36-26(38-27)39-13-11-32-12-14-39)35-20-15-16(45(2,40)41)8-9-19(20)34-22(23-18(29)6-4-10-33-23)17-5-3-7-21-24(17)44-28(30,31)43-21/h3-10,15,22,32,34H,11-14H2,1-2H3,(H,35,36,37,38)/t22-/m0/s1
|
| Chemical Name |
1,2-Benzenediamine, N1-[(S)-(3-chloro-2-pyridinyl)(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N2-[4-methoxy-6-(1-piperazinyl)-1,3,5-triazin-2-yl]-4-(methylsulfonyl)-
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| Synonyms |
Dot1L-IN4Dot1L-IN-4Dot1L-IN 4
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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 : ≥ 220 mg/mL (~332.79 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.15 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 20.8 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: 2.08 mg/mL (3.15 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 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: ≥ 2.08 mg/mL (3.15 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 | 1.5127 mL | 7.5634 mL | 15.1268 mL | |
| 5 mM | 0.3025 mL | 1.5127 mL | 3.0254 mL | |
| 10 mM | 0.1513 mL | 0.7563 mL | 1.5127 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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