AT406 (SM-406)
AT406 (SM-406)
CAS: 1071992-99-8
Molecular Formula: C32H43N5O4
AT406 (SM-406) - Names and Identifiers
AT406 (SM-406) - Physico-chemical Properties
| Molecular Formula | C32H43N5O4 |
| Molar Mass | 561.71 |
| Density | 1.21 |
| Boling Point | 840.6±65.0 °C(Predicted) |
| pKa | 13.65±0.40(Predicted) |
| Storage Condition | -20℃ |
| In vitro study | AT-406 is an Smac mimetic that appears to closely mimic AVPI polypeptides in hydrogen bonding and hydrophobic interactions with XIAP, w323 with additional hydrophobic contact with XIAP. AT-406 is more sensitive to these IAPs than to Smac AVPI polypeptides, with a 50-100 fold binding affinity. AT-406 (1 μm) completely restored caspase-9 activity, which was inhibited by 500 nM XIAP BIR3 in cell-free systems. In MDA-MB-231 cells, AT-406 induces rapid cellular cIAP1 degradation and destroys cellular XIAP proteins. AT-406 effectively inhibits a large number of human cancer cell lines, with IC50 of 144 and 142 nM in MDA-MB-231 and SK-OV-3 ovarian cancer cells, respectively, it has low toxicity to normal human mammary gland-like epithelial MCF-12F cells and primary human normal prostate epithelial cells. In MDA-MB-231 cells, AT-406 induces apoptosis by inducing caspase-3 activation and PARP lysis. |
| In vivo study | AT-406 has good pharmacokinetic (PK) properties and oral bioavailability in mice, rats, non-primates, and dogs. In MDA-MB-231 xenografts, AT-406 effectively induced cIAP1 degradation and caspase-8 processing in tumor tissue, as well as PARP cleavage, AT 100 mg/kg, even the 200 mg/kg dose was well tolerated. AT-406 induced significant tumor growth inhibition with a P of 0.0012 AT 100 mg/kg. |
AT406 (SM-406) - Risk and Safety
| UN IDs | 3077 |
| HS Code | 29339900 |
AT406 (SM-406) - Preparation solution concentration reference
| 1mg | 5mg | 10mg | |
|---|---|---|---|
| 1 mM | 1.78 ml | 8.901 ml | 17.803 ml |
| 5 mM | 0.356 ml | 1.78 ml | 3.561 ml |
| 10 mM | 0.178 ml | 0.89 ml | 1.78 ml |
| 5 mM | 0.036 ml | 0.178 ml | 0.356 ml |
Last Update：2024-01-02 23:10:35
AT406 (SM-406) - Reference Information
| biological activity | Xevinapant (AT406, ARRY-334543, Debio1143, SM-406) is a potent, IAP (inhibitor of apoptosis proteins acting through E3 ubiquitin ligase) antagonist of Smac, binding to XIAP-BIR3, cIAP1-BIR3 and cIAP2-BIR3, Ki of 66.4 nM, 1.9 nM and 5.1 nM, the affinity was 50 to 100 times higher than that for the Smac AVPI peptide. Phase 1. |
| Target | Value |
| cIAP1-BIR3 (cell-free assay) | 1.9 nM(Ki) |
| cIAP2-BIR3 (cell-free assay) | 5.1 nM(Ki) |
| XIAP-BIR3 (cell-free assay) | 66.4 nM(Ki) |
Last Update：2024-04-09 19:05:17
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Spot supply
Product Name: AT406 (SM-406) Visit Supplier Webpage Request for quotationCAS: 1071992-99-8
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
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