Products for Research Use Only
RegisterLogin

AZD9496

CAT: 0013-GTR19170572-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19170572-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
AZD9496 is an orally bioavailable, selective antagonist of estrogen receptor alpha (ERα) with potential antitumor activity. It has demonstrated efficacy in inhibiting the growth of ER-positive breast cancer cells in vitro and in xenograft models in vivo.
CAS Number
1639042-08-2
Product Name Alternative
AZD9496, AZD-9496, AZD 9496, inhibit, Inhibitor, Estrogen Receptor, Estrogen Receptor/ERR, EstrogenReceptor, ERα, ERR, progestogen Receptor, progestogenReceptor
Field of Research
Metabolism Research
Purity
97.28% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:125 mg/mL (282.51 mM) ; Ethanol:82 mg/mL (185.32 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (7.46 mM)
Smiles
C (C (C) (C) F) N1[C@@H] (C2=C (C=3C (N2) =CC=CC3) C[C@H]1C) C4=C (F) C=C (/C=C/C (O) =O) C=C4F
Molecular Formula
C25H25F3N2O2
Molecular Weight
442.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Azd-9496

AZD-9496 is under investigation in clinical trial NCT02248090 (AZD9496 First Time in Patients Ascending Dose Study).

CAS Number1639042-08-2
PubChem CID86287635
IUPAC Name(E)-3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
Molecular FormulaC25H25F3N2O2
Molecular Weight442.5
XLogP2.9
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity705
SMILES
C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)/C=C/C(=O)O)F)NC4=CC=CC=C24
InChI
InChI=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
InChIKey
DFBDRVGWBHBJNR-BBNFHIFMSA-N
Chemical Structure
2D Structure
2D structure of Azd-9496
CAS: 1639042-08-2
CID: 86287635
Formula: C25H25F3N2O2
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass442.18681253
Monoisotopic Mass442.18681253
Topological Polar Surface Area56.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19203978-01AZD9898
GTR19209794-01AZD1446 HCl
GTR19223903-01AZD9291-345
GTR19209064-01AZD1446 tosylate
GTR19175183-01AZD9056 hydrochloride

Alternative Products

CatalogName
T3975-01AZD9496
T39118-01AZD9496 maleate
A15822-50AZD9496 50mg
A15822-10AZD9496 10mg
HY-12870A-01AZD9496 (maleate)

Popular Products