XL-126 is a potent BD1-selective BET inhibitor. XL-126 showed a Kd of 8.9 nM and 185-fold BD1/BD2 selectivity. The cocrystal of XL-126 with BRD4 BD1 and BD2 demonstrates the source of selectivity: repulsion with His437 and lost binding with the leucine clamp. Notably, the BD1 selectivity of BET inhibitor XL-126 leads to both the preservation of platelets and potent anti-inflammatory efficacy.
MedKoo Cat#: 126168
Name: XL-126
CAS#: N/A
Chemical Formula: C33H37N7O3S
Exact Mass: 611.2679
Molecular Weight: 611.77
Elemental Analysis: C, 64.79; H, 6.10; N, 16.03; O, 7.85; S, 5.24
The following data is based on the product molecular weight 611.77 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
