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5mg |
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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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Purity: ≥98%
A-1331852 (A1331852) is a potent and selective BCL-XL inhibitor with anticancer and immunomodulatory effects. Treatment for autoimmune, immune, and cancerous diseases may benefit from it. In comparison to navitoclax, a previously reported BCL-XL inhibitor, and both of its analogs, A-1155463 and A-1331852, respectively, these compounds showed cellular activity that was 10- to 50-fold more potent. Additionally, with median IC50 values in the low nanomolar range, A-1331852 could specifically disassemble BCL-XL-BIM complexes and trigger the hallmarks of apoptosis in BCL-dependent Molt-4 cells, but it had no effect on MEF cells lacking BAK or BAX.
Targets |
Bcl-xL (Ki = 0.01 nM); Bcl-W (Ki = 4 nM); Bcl-2 (Ki = 6 nM); Mcl-1 (Ki = 142 nM)
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ln Vitro |
A-1331852 exhibits remarkable potency both as a single agent and in combination with TKIs in killing primary CD34+ CML cell. Additionally, it has a remarkable capacity to induce apoptosis in these cells as early as 1 hour after treatment at low nanomolar concentrations[2].
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ln Vivo |
As a single agent, A-1331852 induces tumor regressions in the Molt-4 xenograft model, demonstrating antitumor efficacy[1].
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Cell Assay |
Immunoprecipitation of BCL-XL is carried out in K562 cells, exposed to A-1331852 (100 nM) for 0-2 h, and the eluted complexes are immunoblotted for the indicated proteins. To assess the effectiveness of the immunoprecipitation, immunoblotting is done on both the input cell lysates and the immunodepleted supernatant (labeled as Flow-through).
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Animal Protocol |
Mice: SCID-bg mice are used to study the tumors' ability to grow. A-1331852 is given intravenously at 7.5 mg/kg every day for 14 days, while RP-56976 is given orally at 25 mg/kg daily. Every day, the tumor's volume change is tracked.
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References |
Molecular Formula |
C38H38N6O3S
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Molecular Weight |
658.81
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Exact Mass |
658.2726
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Elemental Analysis |
C, 69.28; H, 5.81; N, 12.76; O, 7.29; S, 4.87
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CAS # |
1430844-80-6
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Related CAS # |
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Appearance |
Solid powder
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SMILES |
CC1=C(C=NN1CC23CC4CC(C2)CC(C4)C3)C5=C(N=C(C=C5)N6CCC7=C(C6)C(=CC=C7)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)O
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InChi Key |
QCQQONWEDCOTBV-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)
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Chemical Name |
3-[1-(1-adamantylmethyl)-5-methylpyrazol-4-yl]-6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-2-carboxylic acid
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Synonyms |
A1331852; A-1331852; A 1331852
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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 |
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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) |
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Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (3.16 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (3.16 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 (3.16 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: ≥ 2.5 mg/mL (3.79 mM) (saturation unknown) in 2.5% DMSO 10% ethanol 27.5% PEG 300 60% Phosal 50 PG (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 | 1.5179 mL | 7.5894 mL | 15.1789 mL | |
5 mM | 0.3036 mL | 1.5179 mL | 3.0358 mL | |
10 mM | 0.1518 mL | 0.7589 mL | 1.5179 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.