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UE2343

CAT: 1410-M11390Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M11390Size:1 Each
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Description
UE2343 (UE-2343, Xanamem) is a potent, orally bioavailable, brain penetrant 11β-HSD1 inhibitor with IC50 of 24 nM in cell-free assays.
CAS Number
1346013-80-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
381.454
Molecular Formula
C19H19N5O2S
Notes
Research use only, not for human use.
Receptor
11β-HSD

Chemical Information

UE2343

an inhibitor of 11beta‐hydroxysteroid dehydrogenase type 1; structure in first source

CAS Number1346013-80-6
PubChem CID137530063
IUPAC Name[(1R,5S)-3-hydroxy-3-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
Molecular FormulaC19H19N5O2S
Molecular Weight381.5
XLogP1.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity558
SMILES
C1C[C@H]2CC(C[C@@H]1N2C(=O)C3=CSC(=C3)C4=CNN=C4)(C5=NC=CC=N5)O
InChI
InChI=1S/C19H19N5O2S/c25-17(12-6-16(27-11-12)13-9-22-23-10-13)24-14-2-3-15(24)8-19(26,7-14)18-20-4-1-5-21-18/h1,4-6,9-11,14-15,26H,2-3,7-8H2,(H,22,23)/t14-,15+,19?
InChIKey
MMZFGTAMARVHAF-RTHVDDQRSA-N
Chemical Structure
2D Structure
2D structure of UE2343
CAS: 1346013-80-6
CID: 137530063
Formula: C19H19N5O2S
MW: 381.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass381.12594604
Monoisotopic Mass381.12594604
Topological Polar Surface Area123 Ų
Heavy Atom Count27
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3601390UE2343

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