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AZD9496

CAT: 1568-C13376-02Size: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C13376-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1639042-08-2
SKU
C13376-2mg
Target
Estrogen/progestogen Receptor
Applications
Endocrinology & Hormones
Smiles
CC1CC2=C (C (N1CC (C) (C) F) C3=C (C=C (C=C3F) C=CC (=O) O) F) NC4=CC=CC=C24
Molecular Formula
C25H25F3N2O2
Additionnal Information
AZD9496 is an oral estrogen receptor inhibitor that blocks the growth of ER-positive and ESR1 mutant breast tumours in preclinical models.
Storage Conditions
2 years -80 in solvent

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

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CatalogName
T3975-01AZD9496
T39118-01AZD9496 maleate
A15822-50AZD9496 50mg
A15822-10AZD9496 10mg
A15822-100AZD9496 100mg
A15822-25AZD9496 25mg
A15822-5AZD9496 5mg
A15822-1AZD9496 1mg

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