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MK-6913

CAT: 0013-GTR19204643-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204643-01Size:25 mg
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Description
MK-6913 is a selective and high-affinity agonist for estrogen receptor beta (ERβ) . This compound is a valuable research tool for investigating ERβ-mediated pathways in models of inflammation, neurodegeneration, and cancer, both in vitro and in vivo.
CAS Number
1398510-92-3
Field of Research
Metabolism Research
Smiles
C (COC1=CC=CC=C1) [C@@]23C (C=4C (C2) =C5C (=CC4) N (C (C) (C) C) N=N5) =CC (=O) CC3
Molecular Formula
C25H27N3O2
Molecular Weight
401.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tetrahydrofluoroene 52
CAS Number1398510-92-3
PubChem CID118753642
IUPAC Name(9aS)-3-tert-butyl-9a-(2-phenoxyethyl)-9,10-dihydro-8H-indeno[2,1-e]benzotriazol-7-one
Molecular FormulaC25H27N3O2
Molecular Weight401.5
XLogP4
Topological Polar Surface Area57
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity693
SMILES
CC(C)(C)N1C2=C(C3=C(C=C2)C4=CC(=O)CC[C@]4(C3)CCOC5=CC=CC=C5)N=N1
InChI
InChI=1S/C25H27N3O2/c1-24(2,3)28-22-10-9-19-20(23(22)26-27-28)16-25(12-11-17(29)15-21(19)25)13-14-30-18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3/t25-/m1/s1
InChIKey
LYLIIGQPIKTONH-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of Tetrahydrofluoroene 52
CAS: 1398510-92-3
CID: 118753642
Formula: C25H27N3O2
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass401.21032711
Monoisotopic Mass401.21032711
Topological Polar Surface Area57 Ų
Heavy Atom Count30
Formal Charge0
Complexity693
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

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