A-1331852
- CAS No.
- 1430844-80-6
- Chemical Name:
- A-1331852
- Synonyms
- CS-2498;A-1331852;A 1331852;A1331852;A-1331852, 10 mM in DMSO;A-1331852,Inhibitor,inhibit,A1331852,Bcl-2 Family,A 1331852;6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-(adamantylmethyl)-5-methyl-1H-pyrazol-4-yl)picolinic acid;3-(1-(Adamantan-1-ylmethyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-3-[5-methyl-1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-pyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-[(2-Benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-[5-methyl-1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid;2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-[5-methyl-1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-pyrazol-4-yl]-
- CBNumber:
- CB83070794
- Molecular Formula:
- C38H38N6O3S
- Molecular Weight:
- 658.81
- MDL Number:
- MFCD30532662
- MOL File:
- 1430844-80-6.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 |
| InChIKey | QCQQONWEDCOTBV-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=NC(N2CCC3=C(C2)C(C(NC2=NC4=CC=CC=C4S2)=O)=CC=C3)=CC=C1C1=C(C)N(CC23CC4CC(CC(C4)C2)C3)N=C1 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
A-1331852 price More Price(56)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Cayman Chemical | 22963 | A-1331852 ≥98% | 1430844-80-6 | 1mg | $107 | 2026-04-30 | Buy |
| Cayman Chemical | 22963 | A-1331852 ≥98% | 1430844-80-6 | 5mg | $213 | 2026-04-30 | Buy |
| Cayman Chemical | 22963 | A-1331852 ≥98% | 1430844-80-6 | 10mg | $371 | 2026-04-30 | Buy |
| TRC | TRC-A100900-5MG | A-1331852 | 1430844-80-6 | 5mg | $96 | 2026-06-03 | Buy |
| TRC | TRC-A100900-25MG | A-1331852 | 1430844-80-6 | 25mg | $376 | 2026-06-03 | Buy |
A-1331852 Chemical Properties, Uses, Production
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.
Uses
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].
IC 50
Bcl-xL: 0.01 nM (Ki); Bcl-W: 4 nM (Ki); Bcl-2: 6 nM (Ki); Mcl-1: 142 nM (Ki)
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.
A-1331852 Preparation Products And Raw materials
Raw materials
Preparation Products
A-1331852 Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Luofa Biochemical Technology Co., Ltd. | 021-51111890 15317326293 | sales@molnova.com | China | 4183 | 58 |
| Shanghai YuanQi Biotechnology Co., Ltd. | +86-2332782371 +86-18120098618 | sales@adobechem.com | China | 1250 | 50 |
| SuZhou GoodChemTech Co., Ltd | 18136139868; 18136139868 | jinlun@goodchemtech.cn | China | 321 | 58 |
| LGC Science (Shanghai) Ltd. | 17717235263 17717235263 | offer.de@lgcgroup.com | China | 38135 | 58 |
| Chembest Research Laboratories Limited | 021-20908456 | sales@BioChemBest.com | China | 5996 | 61 |
| MedChemexpress LLC | 021-58955995 | sales@medchemexpress.cn | United States | 4853 | 58 |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
| Shanghai Lollane Biological Technology Co.,Ltd. | 021-52996696，15000506266 15000506266 | China | 4859 | 55 | |
| Shanghai EFE Biological Technology Co., Ltd. | 021-65675885 18964387627 | info@efebio.com | China | 9799 | 58 |
| Shanghai YuanYe Biotechnology Co., Ltd. | 15026964105 | 2881489226@qq.com | China | 89667 | 60 |
