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LSZ-102

CAT: 0931-T15788-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T15788-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2135600-76-7
Target
Estrogen Receptor/ERR
Related Pathways
Endocrinology/Hormones
Purity
0.9856
Bioactivity
LSZ-102 is an effective and selective degrader of estrogen receptor (IC50 = 0.2 nM) and can be used in studies about ERα positive breast cancer.
Smiles
CC(F)(F)c1cc(F)ccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Molecular Formula
C25H17F3O4S
Molecular Weight
470.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lsz-102

LSZ-102 is under investigation in clinical trial NCT02734615 (Phase I/Ib Trial of LSZ102 Single Agent or LSZ102 + LEE011 or LSZ102 + BYL719 in ER+ Breast Cancers).

CAS Number2135600-76-7
PubChem CID118574930
IUPAC Name(E)-3-[4-[[2-[2-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
Molecular FormulaC25H17F3O4S
Molecular Weight470.5
XLogP6.6
Topological Polar Surface Area95
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity712
SMILES
CC(C1=C(C=CC(=C1)F)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)/C=C/C(=O)O)(F)F
InChI
InChI=1S/C25H17F3O4S/c1-25(27,28)20-12-15(26)5-9-18(20)24-23(19-10-6-16(29)13-21(19)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+
InChIKey
SJXNPGGVGZXKKI-NYYWCZLTSA-N
Chemical Structure
2D Structure
2D structure of Lsz-102
CAS: 2135600-76-7
CID: 118574930
Formula: C25H17F3O4S
MW: 470.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.5
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass470.07996468
Monoisotopic Mass470.07996468
Topological Polar Surface Area95 Ų
Heavy Atom Count33
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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BA9220-10LSZ-102
BL166455-01LSZ 102
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A19728-25LSZ-102 25mg
A19728-1LSZ-102 1mg
A19728-10LSZ-102 10mg
A19728-5LSZ-102 5mg
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