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Elacestrant

CAT: 0013-GTR19176157-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19176157-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Elacestrant is an orally bioavailable selective estrogen receptor degrader (SERD) with preferential activity against ERα (IC50 = 48 nM) over ERβ (IC50 = 870 nM) . It is utilized in research for studying hormone receptor-positive breast cancer, demonstrating antitumor efficacy in both cellular assays and animal models.
CAS Number
722533-56-4
Product Name Alternative
Estrogen Receptor/ERR, EstrogenReceptor, Estrogen Receptor, Elacestrant, ERβ, ERα, ERR, Inhibitor, inhibit, RAD 1901, RAD-1901, RAD1901, progestogen Receptor, progestogenReceptor
Field of Research
Metabolism Research
Purity
98.31% (May vary between batches)
Solubility
DMSO:60 mg/mL (130.82 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (8.72 mM)
Smiles
CCNCCc1ccc (CN (CC) c2cc (OC) ccc2[C@@H]2CCc3cc (O) ccc3C2) cc1
Molecular Formula
C30H38N2O2
Molecular Weight
458.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Elacestrant

Elacestrant is a member of the class of tetralins that is 1,2,3,4-tetrahydronaphthalene which is substituted by hydroxy group at position 2 and by a 2-(ethyl{4-[2-(ethylamino)ethyl]benzyl}amino)-4-methoxyphenyl group at position 6R. It is a is an estrogen receptor degrader indicated for the treatment of postmenopausal women or adult men, with ER-positive, HER2-negative, ESR1-mutated advanced or metastatic breast cancer with disease progression following at least one line of endocrine therapy. It has a role as an antineoplastic agent, an anti-estrogen and an estrogen receptor antagonist. It is a monomethoxybenzene, an organic hydroxy compound, a member of tetralins, a substituted aniline, a secondary amino compound and a tertiary amino compound.

CAS Number722533-56-4
PubChem CID23642301
IUPAC Name(6R)-6-[2-[ethyl-[[4-[2-(ethylamino)ethyl]phenyl]methyl]amino]-4-methoxyphenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
Molecular FormulaC30H38N2O2
Molecular Weight458.6
XLogP6.3
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity578
SMILES
CCNCCC1=CC=C(C=C1)CN(CC)C2=C(C=CC(=C2)OC)[C@@H]3CCC4=C(C3)C=CC(=C4)O
InChI
InChI=1S/C30H38N2O2/c1-4-31-17-16-22-6-8-23(9-7-22)21-32(5-2)30-20-28(34-3)14-15-29(30)26-11-10-25-19-27(33)13-12-24(25)18-26/h6-9,12-15,19-20,26,31,33H,4-5,10-11,16-18,21H2,1-3H3/t26-/m1/s1
InChIKey
SIFNOOUKXBRGGB-AREMUKBSSA-N
Chemical Structure
2D Structure
2D structure of Elacestrant
CAS: 722533-56-4
CID: 23642301
Formula: C30H38N2O2
MW: 458.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.6
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass458.293328459
Monoisotopic Mass458.293328459
Topological Polar Surface Area44.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity578
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
E7121-1mgElacestrant
CS-O-63663Elacestrant-d4
A12244-25Elacestrant 25mg
A12244-1Elacestrant 1mg
HY-19822S3Elacestrant-d6
MBS3601413-01Elacestrant dihydrochloride
A12244-100Elacestrant 100mg
A12244-5Elacestrant 5mg
HY-19822A-01Elacestrant (dihydrochloride)
TRC-E407311-10MGElacestrant-d5

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