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AZD3514

CAT: 1410-M10970-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10970-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD3514 is a potent and oral androgen receptor downregulator with Ki of 2.2 μM and has ability of reducing AR protein expression.Phase 1.
CAS Number
1240299-33-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
519.56
Molecular Formula
C₂₅H₃₂F₃N₇O₂
Notes
Research use only, not for human use.
Receptor
Androgen Receptor

Chemical Information

Azd 3514

in Phase I clinical trial in patients with castrate-resistant prostate cancer (2/2013); structure in first source

CAS Number1240299-33-5
PubChem CID46893585
IUPAC Name1-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone
Molecular FormulaC25H32F3N7O2
Molecular Weight519.6
XLogP1.7
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity805
SMILES
CC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5C(F)(F)F)CC4
InChI
InChI=1S/C25H32F3N7O2/c1-18(36)33-14-12-32(13-15-33)16-17-37-21-4-2-19(3-5-21)20-8-10-34(11-9-20)23-7-6-22-29-30-24(25(26,27)28)35(22)31-23/h2-5,20H,6-17H2,1H3
InChIKey
JMEYDSHPKCSIJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azd 3514
CAS: 1240299-33-5
CID: 46893585
Formula: C25H32F3N7O2
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.6
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass519.25695778
Monoisotopic Mass519.25695778
Topological Polar Surface Area79.1 Ų
Heavy Atom Count37
Formal Charge0
Complexity805
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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