A-1331852
- CAS NO.:1430844-80-6
- Empirical Formula: C38H38N6O3S
- Molecular Weight: 658.81
- MDL number: MFCD30532662
- Update Date: 2023-06-30 15:45:59
What is A-1331852?
Description
A-1331852 is an orally bioavailable Bcl-xL inhibitor that selectively binds Bcl-xL over Bcl-2, Mcl-1, and Bcl-W (Kis = <0.01, 6, 142, and 4 nM, respectively). It inhibits growth of Bcl-xL-dependent MOLT-4, but not Bcl-2-dependent RS4;11, acute lymphocytic leukemia cells in vitro (EC50s = 6 and >5,000 nM, respectively). A-1331852 (25 mg/kg twice per day) inhibits tumor growth in a MOLT-4 mouse xenograft model. It also inhibits tumor growth and increases the antitumor activity of docetaxel in MDA-MB-231 LC3 metastatic breast cancer and NCI-H1650 non-small cell lung cancer mouse xenograft models when administered at a dose of 25 mg/kg. A-1331852 also increases venetoclax inhibition of tumor growth in an NCI-H1963.FP5 small cell lung cancer mouse xenograft model.
The Uses of A-1331852
A-1331852 is a substituted benzothiazole that can serve as an anti-apoptotic Bcl-xL protein inhibitor and apoptosis-inducing agent useful in the treatment of cancer, immune and autoimmune diseases.
in vitro
a-1331852 was identified as a potent bcl-xl inhibitor demonstrating cellular activity 10- to 50-fold more potent than its analog a-1155463 and the previouly reported bcl-xl inhibitor, navitoclax, respectively. moreover, a-1331852 could selectively disrupt bcl-xl–bim complexes and induce the apoptosis hallmarks in bcl-xl–dependent molt-4 cells with median ic50 values in the low nanomolar range but did not affect mef cells without bak or bax [1].
in vivo
previous animal study found that a-1331852 could demonstrate antitumor efficacy in the molt-4 xenograft model, such as tumor regressions as a single agent. in addition, in the nci-h1963.fp5 xenograft model of sclc, it was found that a-1331852 combined with venetoclax was able to recapitulate the efficacy of navitoclax [1].
storage
Store at -20°C
References
[1] leverson jd et al. exploiting selective bcl-2 family inhibitors to dissect cell survival dependencies and define improved strategies for cancer therapy. sci transl med. 2015 mar 18;7(279):279ra40. doi: 10.1126/scitranslmed.aaa4642.
Properties of A-1331852
Melting point: | >161oC (dec.) |
Density | 1.50±0.1 g/cm3(Predicted) |
storage temp. | -20°C Freezer |
solubility | Acetonitrile (Slightly, Heated), DMSO (Slightly) |
pka | 8.88±0.70(Predicted) |
form | Solid |
color | Pale Yellow to Light Beige |
Safety information for A-1331852
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P330:Rinse mouth. P362:Take off contaminated clothing and wash before reuse. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
Computed Descriptors for A-1331852
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