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Amcenestrant (SAR439859)

CAT: 0957-S9609-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S9609-01Size:5 mg
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Description
Amcenestrant (SAR439859, compound 43d) is an orally available and nonsteroidal selective estrogen receptor degrader (SERD) with potential antineoplastic activity. SAR439859 is a potent estrogen receptor (ER) antagonist with EC50 of 0.2 nM for ERα degradation.
CAS Number
2114339-57-8
Target
Estrogen/progestogen Receptor
Activity
Endocrinology & Hormones
Molecular Formula
C31H30Cl2FNO3
Storage Conditions
3 years -20°C powder

Chemical Information

Amcenestrant

Amcenestrant is an orally available, nonsteroidal selective estrogen receptor degrader/downregulator (SERD), with potential antineoplastic activity. Upon oral administration, amcenestrant specifically targets and binds to the estrogen receptor (ER) and induces a conformational change that promotes ER degradation. This prevents ER-mediated signaling and inhibits both the growth and survival of ER-expressing cancer cells.

CAS Number2114339-57-8
PubChem CID130232326
IUPAC Name6-(2,4-dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
Molecular FormulaC31H30Cl2FNO3
Molecular Weight554.5
XLogP5.3
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity832
SMILES
C1CC2=C(C=CC(=C2)C(=O)O)C(=C(C1)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)O[C@H]5CCN(C5)CCCF
InChI
InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)/t25-/m0/s1
InChIKey
KISZAGQTIXIVAR-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Amcenestrant
CAS: 2114339-57-8
CID: 130232326
Formula: C31H30Cl2FNO3
MW: 554.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.5
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass553.1586774
Monoisotopic Mass553.1586774
Topological Polar Surface Area49.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity832
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C14359-25mgAmcenestrant (SAR439859)
A22501-100Amcenestrant (SAR439859) 100mg
A22501-25Amcenestrant (SAR439859) 25mg
A22501-10mM-DAmcenestrant (SAR439859) 10mM * 1mL in DMSO
BUP04501-01Amcenestrant
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A22501-50SAR439859 50mg
A22501-1SAR439859 1mg
A22501-5SAR439859 5mg
A22501-10SAR439859 10mg

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