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UBP316

CAT: 0013-GTR19201473-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201473-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This small molecule is a selective antagonist of kainate receptors containing the GluR5 (GRIK1) subunit. It is a valuable research tool for investigating the role of these receptors in neurological processes, enabling studies on synaptic plasticity, pain pathways, and neuroexcitotoxicity in both cellular and animal models.
CAS Number
936095-50-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cc1cn (C[C@H] (N) C (O) =O) c (=O) n (Cc2cc (sc2C (O) =O) -c2ccccc2) c1=O
Molecular Formula
C20H19N3O6S
Molecular Weight
429.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-({3-[(2s)-2-Amino-2-Carboxyethyl]-5-Methyl-2,6-Dioxo-3,6-Dihydropyrimidin-1(2h)-Yl}methyl)-5-Phenylthiophene-2-Carboxylic Acid
CAS Number936095-50-0
PubChem CID16125102
IUPAC Name3-[[3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]-5-phenylthiophene-2-carboxylic acid
Molecular FormulaC20H19N3O6S
Molecular Weight429.4
XLogP-1.1
Topological Polar Surface Area169
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity751
SMILES
CC1=CN(C(=O)N(C1=O)CC2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C20H19N3O6S/c1-11-8-22(10-14(21)18(25)26)20(29)23(17(11)24)9-13-7-15(30-16(13)19(27)28)12-5-3-2-4-6-12/h2-8,14H,9-10,21H2,1H3,(H,25,26)(H,27,28)/t14-/m0/s1
InChIKey
LCZDCKMQSBGXAH-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of 3-({3-[(2s)-2-Amino-2-Carboxyethyl]-5-Methyl-2,6-Dioxo-3,6-Dihydropyrimidin-1(2h)-Yl}methyl)-5-Phenylthiophene-2-Carboxylic Acid
CAS: 936095-50-0
CID: 16125102
Formula: C20H19N3O6S
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.4
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass429.09945651
Monoisotopic Mass429.09945651
Topological Polar Surface Area169 Ų
Heavy Atom Count30
Formal Charge0
Complexity751
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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