Fulvestrant

CAT: 0931-T2146-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T2146-03Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

129453-61-8

Target

Autophagy, Estrogen Receptor/ERR, Apoptosis, Estrogen/progestogen Receptor

Related Pathways

Autophagy, Apoptosis, Endocrinology/Hormones

Purity

>99.99%

Bioactivity

Fulvestrant (ZM 182780) is an estrogen receptor (ER) antagonist (IC50=9.4 nM) and an agonist of GPR30. Fulvestrant has antitumor activity, inhibiting cell proliferation and inducing apoptosis and autophagy.

Smiles

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@@]21[H]

Molecular Formula

C32H47F5O3S

Molecular Weight

606.77

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Fulvestrant

Fulvestrant is a 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. It has a role as an antineoplastic agent, an estrogen receptor antagonist and an estrogen antagonist. It is a sulfoxide, a 17beta-hydroxy steroid, a 3-hydroxy steroid and an organofluorine compound. It derives from a hydride of an estrane.

CAS Number	129453-61-8
PubChem CID	104741
IUPAC Name	(7R,8R,9S,13S,14S,17S)-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Formula	C32H47F5O3S
Molecular Weight	606.8
XLogP	9.2
Topological Polar Surface Area	76.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	14
Heavy Atom Count	41
Formal Charge	0
Complexity	854

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F

InChI

InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1

InChIKey

VWUXBMIQPBEWFH-WCCTWKNTSA-N

Chemical Structure

2D Structure

CAS: 129453-61-8

CID: 104741

Formula: C32H47F5O3S

MW: 606.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	606.8
XLogP3	9.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	14
Exact Mass	606.31660734
Monoisotopic Mass	606.31660734
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	854
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
276530-01	Fulvestrant

Fulvestrant

Chemical Information

Alternative Products

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