APIs & Intermediates
A-1331852 (CAS 1430844-80-6)
Cat. No. SC10039
⚠ This product is for research use only, not for human or veterinary use.
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Specifications
| CAS Number | 1430844-80-6 |
| IUPAC 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 | 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 |
| Molecular Weight | 658.80 g/mol |
| Molecular Formula | C38H38N6O3S |
| PubChem CID | 71565985 |
| 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 |
| Purity | >98% |
| Shipping Condition | Shipped under ambient temperature as non-hazardous chemical. |
Description
A-1331852 (CAS 1430844-80-6) is a selective BCL-XL inhibitor belonging to the BH3-mimetic class of apoptosis-modulating compounds. With molecular formula C₃₈H₃₈N₆O₃S and MW 658.80 g/mol, it is a structurally distinct small molecule featuring an adamantylmethylpyrazole core linked to a benzothiazole-containing isoquinoline scaffold.
A-1331852 is reported to bind with high affinity to the BH3-binding groove of BCL-XL, displacing pro-apoptotic BH3-domain proteins and thereby releasing the apoptotic block in BCL-XL-dependent cells. It exhibits selectivity for BCL-XL over other anti-apoptotic family members such as BCL-2 and MCL-1, making it a useful tool for dissecting individual BCL family contributions to cell survival.
- Selective BCL-XL target engagement and mechanistic studies
- Apoptosis pathway research in cancer cell line models
- Structure-activity relationship studies within the BH3-mimetic chemotype
- Chemical biology probe for BCL family protein profiling
Each batch is analyzed by HPLC and ¹H NMR, with a Certificate of Analysis provided on shipment. Available from milligram to kilogram scale, with flexible packaging to meet R&D and scale-up requirements.
Documentation
✓ Certificate of Analysis (CoA) ✓ ¹H NMR Spectrum ✓ HPLC Chromatogram ✓ LC-MS (on request) ✓ MSDS / SDS
All analytical documentation is provided free of charge with every order. Raw spectral data files (NMR, HPLC, LC-MS) are also available on request — just mention it in your enquiry.
