A-1331852

Alias: A1331852; A-1331852; A 1331852
Cat No.:V2656 Purity: ≥98%
A-1331852 (A1331852) is a potent and selective BCL-XL inhibitor with anticancer and immunomodulatory effects.
A-1331852 Chemical Structure CAS No.: 1430844-80-6
Product category: Mdm2
This product is for research use only, not for human use. We do not sell to patients.
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Purity & Quality Control Documentation

Purity: ≥98%

Product Description

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.

Biological Activity I Assay Protocols (From Reference)
Targets
Bcl-xL (Ki = 0.01 nM); Bcl-W (Ki = 4 nM); Bcl-2 (Ki = 6 nM); Mcl-1 (Ki = 142 nM)
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].
ln Vivo
As a single agent, A-1331852 induces tumor regressions in the Molt-4 xenograft model, demonstrating antitumor efficacy[1].
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).
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.
References

[1] Sci Transl Med . 2015 Mar 18;7(279):279ra40.

[2] Leukemia . 2016 Jun;30(6):1273-81.

These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C38H38N6O3S
Molecular Weight
658.81
Exact Mass
658.2726
Elemental Analysis
C, 69.28; H, 5.81; N, 12.76; O, 7.29; S, 4.87
CAS #
1430844-80-6
Appearance
Solid powder
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
InChi Key
QCQQONWEDCOTBV-UHFFFAOYSA-N
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)
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
Synonyms
A1331852; A-1331852; A 1331852
HS Tariff Code
2934.99.9001
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)
Solubility Data
Solubility (In Vitro)
DMSO: ~100 mg/mL (~151.8 mM)
Water: <1 mg/mL
Ethanol: <1 mg/mL
Solubility (In Vivo)
NA
 (Please use freshly prepared in vivo formulations for optimal results.)
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.

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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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.
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Biological Data
  • A-1331852

    BCL-XL is a critical survival factor and regulates TKI-induced apoptosis in CML cell lines. Leukemia. 2016 Jun;30(6):1273-81.
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