| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
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| ln Vitro |
The Polycomb Repressive Complex 2 (PRC2) includes the crucial member known as Embryonic Ectoderm Development (EED) protein. A-395 inhibits EED's ability to bind H3K27me3. In the H3K27me3 binding pocket of EED, A-395 binds, inhibiting the allosteric stimulation of PRC2 catalytic activity. With an IC50 of 7 nM, A-395 competes with EED for the binding of the H3K27me3 peptide. A-395 selectively and efficiently lowers the H3K27 methyl mark in cells to influence PRC2 activity, but not A-395N, its near chemical counterpart. H3K27me2 and H3K27me3 are both inhibited by A-395 treatment, with IC50 values of 390 nM and 90 nM, respectively. Moreover, human tumor cell lines susceptible to SAM-competitive EZH2 inhibitors were unable to proliferate after receiving A-395 therapy [1].
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| ln Vivo |
The Polycomb Repressive Complex 2 (PRC2) includes the crucial member known as Embryonic Ectoderm Development (EED) protein. A-395 inhibits EED's ability to bind H3K27me3. In the H3K27me3 binding pocket of EED, A-395 binds, inhibiting the allosteric stimulation of PRC2 catalytic activity. With an IC50 of 7 nM, A-395 competes with EED for the binding of the H3K27me3 peptide. A-395 selectively and efficiently lowers the H3K27 methyl mark in cells to influence PRC2 activity, but not A-395N, its near chemical counterpart. H3K27me2 and H3K27me3 are both inhibited by A-395 treatment, with IC50 values of 390 nM and 90 nM, respectively. Moreover, human tumor cell lines susceptible to SAM-competitive EZH2 inhibitors were unable to proliferate after receiving A-395 therapy [1].
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| References |
| Molecular Formula |
C26H38CL3FN4O2S
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|---|---|
| Molecular Weight |
596.02792596817
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| Exact Mass |
486.246
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| CAS # |
2089148-72-9
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| Related CAS # |
2138326-06-2 (R-isomer);2089148-72-9;2089148-71-8;2138319-85-2 (S-isomer)
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| PubChem CID |
123132213
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| Appearance |
White to yellow solid powder
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| LogP |
3.1
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
34
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| Complexity |
789
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| Defined Atom Stereocenter Count |
2
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| SMILES |
Cl.Cl.Cl.S(C)(N1CCN(CC1)C1C=CC(=CC=1)[C@H]1CN(C2C3C(=CC=CC=3CC2)F)C[C@@H]1N(C)C)(=O)=O
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| InChi Key |
REVJNSVNICWODC-KIDMSAQOSA-N
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| InChi Code |
InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1
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| Chemical Name |
(3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-(4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)pyrrolidin-3-amine trihydrochloride
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| Synonyms |
A395 A 395A-395 hydrochlorideA-395 A-395 HCl
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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 (~205.49 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.83 mg/mL (1.71 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 8.3 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 0.83 mg/mL (1.71 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 8.3 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: ≥ 0.83 mg/mL (1.71 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 | 1.6778 mL | 8.3888 mL | 16.7777 mL | |
| 5 mM | 0.3356 mL | 1.6778 mL | 3.3555 mL | |
| 10 mM | 0.1678 mL | 0.8389 mL | 1.6778 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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