AZD9496 - CAS 1639042-08-2 (free base)

AZD9496 (Cat No.:I002137) is an oral estrogen receptor inhibitor that directly targets and downregulates ERα in vitro. in vivo and in vitro assays, AZD9496 antagonized and downregulated ER mutants. the IC50s for AZD9496 binding, downregulation and antagonism of ERα were 0.82, 0.14 and 0.28 nM, respectively.

Catalog Number: I003857

CAS Number: 1639042-08-2 (free base)

Molecular Formula: C25H25F3N2O2

Molecular Weight:442.48

Purity: ≥95%

* For research use only. Not for human or veterinary use.


Property

Molecular Formula: C25H25F3N2O2
Molecular Weight442.48
SolubilitySoluble in DMSO, not in water
Purity≥95%
Storage0 - 4 °C for short term or -20 °C for long term

Computed Descriptor

InChIInChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1
InChIKeyDFBDRVGWBHBJNR-BBNFHIFMSA-N
SMILESO=C(O)/C=C/C1=CC(F)=C([C@H]2N(CC(C)(F)C)[C@H](C)CC3=C2NC4=C3C=CC=C4)C(F)=C1