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LNS8801

CAT: 0013-GTR19258493-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258493-02Size:10 mg
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Description
LNS8801 is an orally active agonist of the G protein-coupled estrogen receptor (GPER) . By activating GPER, LNS8801 mediates downstream signaling pathways, such as promoting cAMP production and activating CREB signaling, which results in antitumor activities like inhibiting tumor cell proliferation, inducing cell differentiation, and enhancing tumor immunogenicity. It is applicable in research across various cancers, such as melanoma, pancreatic cancer, colorectal cancer, and lung cancer, as well as studies exploring the role of GPER in normal physiological and pathological processes.
CAS Number
925419-55-2
Field of Research
Metabolism Research
Smiles
BrC1=C ([C@@H]2[C@]3 ([C@@] (C=4C (N2) =CC=C (C (C) =O) C4) (C=CC3) [H]) [H]) C=C5C (=C1) OCO5
Molecular Formula
C21H18BrNO3
Molecular Weight
412.277
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

G 1 (gper agonist), (3aR,4S,9bS)-
CAS Number925419-55-2
PubChem CID16112908
IUPAC Name1-[(3aR,4S,9bS)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
Molecular FormulaC21H18BrNO3
Molecular Weight412.3
XLogP4.6
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity596
SMILES
CC(=O)C1=CC2=C(C=C1)N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CC5=C(C=C4Br)OCO5
InChI
InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m0/s1
InChIKey
VHSVKVWHYFBIFJ-QTCYRWPVSA-N
Chemical Structure
2D Structure
2D structure of G 1 (gper agonist), (3aR,4S,9bS)-
CAS: 925419-55-2
CID: 16112908
Formula: C21H18BrNO3
MW: 412.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.3
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass411.04701
Monoisotopic Mass411.04701
Topological Polar Surface Area47.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-173178-01LNS8801

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