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UBP 282

CAT: 0607-B6849-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6849-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AMPA and kainate receptor antagonist
CAS Number
544697-47-4
Product Name Alternative
(S)-4-((3-(2-amino-2-carboxyethyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)methyl)benzoic acid
Field of Research
Membrane Transporter Ion Channel AMPAR
Form
White solid
Solubility
<33.33mg/ml in 1eq. NaOH; <8.33mg/ml in 1eq. HCl
Smiles
N[C@@](C(O)=O)([H])CN(C1=O)C=CC(N1CC2=CC=C(C(O)=O)C=C2)=O
Molecular Formula
C15H15N3O6
Molecular Weight
333.3
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

(S)-4-((3-(2-amino-2-carboxyethyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)methyl)benzoic acid
CAS Number544697-47-4
PubChem CID6604912
IUPAC Name4-[[3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxopyrimidin-1-yl]methyl]benzoic acid
Molecular FormulaC15H15N3O6
Molecular Weight333.30
XLogP-3.2
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity568
SMILES
C1=CC(=CC=C1CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-1-3-10(4-2-9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
InChIKey
XLRLZPOBHPIDFX-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (S)-4-((3-(2-amino-2-carboxyethyl)-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)methyl)benzoic acid
CAS: 544697-47-4
CID: 6604912
Formula: C15H15N3O6
MW: 333.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.30
XLogP3-3.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass333.09608521
Monoisotopic Mass333.09608521
Topological Polar Surface Area141 Ų
Heavy Atom Count24
Formal Charge0
Complexity568
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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