[CAS NO. 1562375-46-5] SM-1295
PRODUCTS SPECIFICATIONS [1562375-46-5]
DESCRIPTION [1562375-46-5]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 598.53 |
| Molecular Formula | C29H36BrN5O4 |
| SMILES | O=C([C@@H]1CC[C@@](CCN(C(CC2=CC=CC=C2)=O)C[C@@H]3NC([C@@H](NC)C)=O)([H])N1C3=O)NCC4=CC=C(Br)C=C4 |
Summary
IC50 & Target
Kd: 3077 nM (XIAP-BIR3), 3.2 nM (c-IAP1-BIR3), 9.5 nM (c-IAP2-BIR3) [2] .
In Vitro
SM-1295 (compound 5) binds to both cIAP1 and cIAP2 proteins with K
i
values of <10 nM and displays a selectivity of >900-fold for cIAP1 over XIAP
[1]
.
SM-1295 (compound 5) exhibits an IC
50
of 46 nM in MDA-MB-231
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
-20°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Solvent & Solubility
DMSO : 310 mg/mL ( 517.94 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 1.6708 mL | 8.3538 mL | 16.7076 mL |
| 5 mM | 0.3342 mL | 1.6708 mL | 3.3415 mL |
| 10 mM | 0.1671 mL | 0.8354 mL | 1.6708 mL |
-
1.
-
2.
Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)
Solubility: ≥ 7.75 mg/mL (12.95 mM); Clear solution
References
- [1] Haiying Sun, et al. Potent and Selective Small-Molecule Inhibitors of cIAP1/2 Proteins Reveal That the Binding of Smac Mimetics to XIAP BIR3 Is Not Required for Their Effective Induction of Cell Death in Tumor Cells. ACS Chem Biol. 2014 Apr 18;9(4):994-1002.
- [2] Hui Cong, et al. Inhibitor of Apoptosis Protein (IAP) Antagonists in Anticancer Agent Discovery: Current Status and Perspectives. J Med Chem. 2019 Jun 27;62(12):5750-5772.