CAS 1235034-55-5|A-1155463
Introduction：Basic information about CAS 1235034-55-5|A-1155463, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | A-1155463 | ||
|---|---|---|---|
| CAS Number | 1235034-55-5 | Molecular Weight | 669.788 |
| Density | 1.5±0.1 g/cm3 | Boiling Point | / |
| Molecular Formula | C35H32FN5O4S2 | Melting Point | / |
| MSDS | / | Flash Point | / |
Names
| Name | 2-[8-(1,3-Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-2(1H)-isoquinolinyl]-5-(3-{4-[3-(dimethylamino)-1-propyn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
A-1155463 BiologicalActivity
| Description | A-1155463 is a highly potent and selective BCL-XL inhibitor with an EC50 of 70 nM in Molt-4 cell. |
|---|---|
| Related Catalog | Signaling Pathways >>Apoptosis >>Bcl-2 FamilyResearch Areas >>Cancer |
| Target | Bcl-xL:0.01 nM (Ki) Bcl-2:80 nM (Ki) |
| In Vitro | A-1155463 shows picomolar binding affinity to BCL-XL (Ki＜0.01 nM), and >1000-fold weaker binding to BCL-2 (Ki= 80 nM) and related proteins BCL-W (Ki= 19 nM) and MCL-1 (Ki> 440 nM) [2]. A-1155463 demonstrates strong growth inhibition of over half of the colorectal cell lines as defined by EC50 values ≤0.5 μM in the presence of 10 % FBS[3]. |
| In Vivo | A-1155463 caused a mechanism-based and reversible thrombocytopenia in mice and inhibited H146 small cell lung cancer xenograft tumor growth in vivo following multiple doses[2]. |
| Animal Admin | Mice: Following a single 5 mg/kg IP dose of A-1155463 in nontumor bearing SCID-Beige mice, platelet counts fell dramatically as measured at 6 h postdose and then rebounded to normal levels within 72 h. A-1155463 is then administered to SCID-Beige mice that had been inoculated with BCL-XL-dependent H146 tumor cells with a daily dose at 5 mg/kg IP for 14 days[2]. |
| 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):279 [2]. Tao ZF, et al. Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity. ACS Med Chem Lett. 2014 Aug 26;5(10):1088-93. [3]. Zhang H, et al. Genomic analysis and selective small molecule inhibition identifies BCL-X(L) as a critical survival factor in a subset of colorectal cancer. Mol Cancer. 2015 Jul 2;14:126. |
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Molecular Formula | C35H32FN5O4S2 |
| Molecular Weight | 669.788 |
| Exact Mass | 669.187988 |
| LogP | 6.61 |
| Index of Refraction | 1.716 |
| InChIKey | SOYCFODXNRVBTI-UHFFFAOYSA-N |
| SMILES | CN(C)CC#Cc1ccc(OCCCc2sc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)O)c(F)c1 |
| Storage condition | -20℃ |
Synonyms
| 2-[8-(1,3-Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-2(1H)-isoquinolinyl]-5-(3-{4-[3-(dimethylamino)-1-propyn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid |
| 4-Thiazolecarboxylic acid, 2-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-5-[3-[4-[3-(dimethylamino)-1-propyn-1-yl]-2-fluorophenoxy]propyl]- |
| A1155463 |
| A-1155463 |
