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RU-39411

CAT: 0013-GTR19198555-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198555-01Size:25 mg
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Description
RU-39411 is a steroidal compound that functions as a selective estrogen receptor antagonist. It is utilized in research to investigate estrogen receptor signaling in both cellular (in vitro) and animal (in vivo) models of hormone-responsive systems.
CAS Number
120382-04-9
Field of Research
Metabolism Research
Smiles
C[C@@]12[C@] ([C@]3 ([C@] ([C@H] (C1) C4=CC=C (OCCN (C) C) C=C4) (C=5C (CC3) =CC (O) =CC5) [H]) [H]) (CC[C@@H]2O) [H]
Molecular Formula
C28H37NO3
Molecular Weight
435.60
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

RU 39411

inhibits tamoxifen-stimulated growth of an MCF-7 tumor variant; structure given in first source

CAS Number120382-04-9
PubChem CID119588
IUPAC Name(8S,9R,11S,13S,14S,17S)-11-[4-[2-(dimethylamino)ethoxy]phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC28H37NO3
Molecular Weight435.6
XLogP5.2
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity632
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O)C5=CC=C(C=C5)OCCN(C)C
InChI
InChI=1S/C28H37NO3/c1-28-17-24(18-4-8-21(9-5-18)32-15-14-29(2)3)27-22-11-7-20(30)16-19(22)6-10-23(27)25(28)12-13-26(28)31/h4-5,7-9,11,16,23-27,30-31H,6,10,12-15,17H2,1-3H3/t23-,24+,25-,26-,27+,28-/m0/s1
InChIKey
VBPPJMXMMHJPDP-JZFZMOLRSA-N
Chemical Structure
2D Structure
2D structure of RU 39411
CAS: 120382-04-9
CID: 119588
Formula: C28H37NO3
MW: 435.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.6
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass435.27734404
Monoisotopic Mass435.27734404
Topological Polar Surface Area52.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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