For research use only. Not for therapeutic Use.
(S)-ML753286 is a breast cancer resistance protein (BCRP) inhibitor with an IC50 of 0.6 μM on BCRP efflux transporter.
(S)-ML753286 (Compound A) shows the potency and a potent pharmacokinetic (PK) profile in rats (lower clearance [1.54 L/h/kg] and higher bioavailability [123%]). XL388 has moderate terminal elimination half-life with t1/2s of 0.9 h and 2.0 h for 2 mg/kg (iv) and 20 mg/kg (po) in rats, respectively[1].
| Catalog Number | I019849 |
| CAS Number | 1699720-85-8 |
| Synonyms | (2S,5S,8S)-14-methoxy-5-methyl-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione |
| Molecular Formula | C20H25N3O3 |
| Purity | ≥95% |
| InChI | InChI=1S/C20H25N3O3/c1-10(2)7-16-18-14(13-6-5-12(26-4)8-15(13)22-18)9-17-19(24)21-11(3)20(25)23(16)17/h5-6,8,10-11,16-17,22H,7,9H2,1-4H3,(H,21,24)/t11-,16-,17-/m0/s1 |
| InChIKey | XDVXQQDQFWVCAU-GOPGUHFVSA-N |
| SMILES | CC1C(=O)N2C(CC3=C(C2CC(C)C)NC4=C3C=CC(=C4)OC)C(=O)N1 |
| Reference | [1]. Li Y, et al. Synthesis of a new inhibitor of breast cancer resistance protein with significantly improved pharmacokinetic profiles. Bioorg Med Chem Lett. 2016 Jan 15;26(2):551-555. |
