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UCPH-102

CAT: 0013-GTR19188002-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188002-01Size:25 mg
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Description
UCPH-102 is a highly selective EAAT1 inhibitor (IC50 = 0.43 μM) with good blood-brain barrier permeability, supporting its research in CNS disorders like Alzheimer's disease and chronic pain. It also exhibits specific anti-proliferative effects against T-ALL cells in vitro.
CAS Number
1229591-56-3
Field of Research
Metabolism Research
Smiles
CC1C2=C (CC (CC2=O) C=3C4=C (C=CC3) C=CC=C4) OC (N) =C1C#N
Molecular Formula
C21H18N2O2
Molecular Weight
330.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ucph-102, >=98% (hplc)
CAS Number1229591-56-3
PubChem CID46215971
IUPAC Name2-amino-4-methyl-7-naphthalen-1-yl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Molecular FormulaC21H18N2O2
Molecular Weight330.4
XLogP3.5
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity696
SMILES
CC1C(=C(OC2=C1C(=O)CC(C2)C3=CC=CC4=CC=CC=C43)N)C#N
InChI
InChI=1S/C21H18N2O2/c1-12-17(11-22)21(23)25-19-10-14(9-18(24)20(12)19)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14H,9-10,23H2,1H3
InChIKey
XZQMHUGTNOOYFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ucph-102, >=98% (hplc)
CAS: 1229591-56-3
CID: 46215971
Formula: C21H18N2O2
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass330.136827821
Monoisotopic Mass330.136827821
Topological Polar Surface Area76.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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