DICL_CP_0310352 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0310352

PubChem CID

1221

Molecular Formula

C₇H₁₀N₂O₄

Molecular Weight

186.167 g/mol

Synonyms/Alias

[ampa; 77521-29-0; (RS)-AMPA; 74341-63-2; (R;S)-AMPA; alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID; AMPA (pharmaceutical); CHEMBL13378; 2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)-propion...[ampa; 77521-29-0; (RS)-AMPA; 74341-63-2; (R;S)-AMPA; alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID; AMPA (pharmaceutical); CHEMBL13378; 2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)-propionic acid; CHEBI:34018; alpha-Amino-2;3-dihydro-5-methyl-3-oxo-4-isoxazolepropanoic acid; (+/-)-AMPA; J090588E6X; AMPA HYDRATE; (R;S)-alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid; 4-Isoxazolepropanoic acid; a-amino-2;3-dihydro-5-methyl-3-oxo-; (+/-)-alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID; 2-amino-3-(5-methyl-3-oxo-2;3-dihydro-1;2-oxazol-4-yl)propanoic acid; 2-amino-3-(5-methyl-3-oxo-2;3-dihydroisoxazol-4-yl)propanoic acid; [3H]AMPA; C7H10N2O4; (R)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)-propionic acid; (R;S)-A-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID; (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)-propionic acid; GNF-Pf-2579; UNII-J090588E6X; 4-Isoxazolepropanoic acid; alpha-amino-2;3-dihydro-5-methyl-3-oxo-; (R;S)-alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionicAcid-13C2;15N; (+/-)-alpha-Amino-3-hydroxy-5-methylisoxazole-4-propionic acid Hydrate; gamma-Amino-3-hydroxy-5-methylisoxazole-4-propionic acid; dl-alpha-Amino-3-hydroxy-5-methylisoxazole-4-propionic acid; (+-)-alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid; alpha-Amino-2;3-dihydro-5-methyl-3-oxoisoxazolepropionic acid; D;L-alpha-Amino-3-hydroxy-5-methylisoxazole-4-propionic acid; AMPA [MI]; (R;S) AMPA; AMPA; D;L-; Lopac0_000581; SCHEMBL68799; GTPL4077; GTPL4131; DTXSID20868301; UUDAMDVQRQNNHZ-UHFFFAOYSA-N; (rs)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid; 2-amino-3-(5-methyl-3-oxo-1;2-oxazol-4-yl)propanoic acid; HMS3266A13; HMS3411A07; HMS3675A07; ZCA34163; 20 - Acid Herbicides in Wastewater; 4-Isoxazolepropanoic acid; .alpha.-amino-2;3-dihydro-5-methyl-3-oxo-; BDBM50002370; HB0030; MFCD00069214; MFCD00213388; PDSP1_001835; PDSP2_001818; 08 - Acid Herbicides in Clean Water; AKOS017343917; AKOS027250886; AB02804; CCG-204670; HY-100815B; SB38931; SB38934; SDCCGSBI-0050563.P002; NCGC00015458-04; NCGC00015458-05; NCGC00024481-03; DA-02875; DB-016844; CS-0021074; NS00114216; M01253; L000026; SR-01000075447-3; Q66370552; ( )-a-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid; 2-amino-3-(5-methyl-3-oxo-isoxazol-4-yl)propanoic acid; 2-ammonio-3-(3-hydroxy-5-methylisoxazol-4-yl)propanoate; (R;S)-|A-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid; 2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)-propionic acid; 2-amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propanoic acid; (R;S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-propionic acid; (RS)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)-propionicacid; .alpha.-Amino-2;3-dihydro-5-methyl-3-oxo-4-isoxazolepropanoic acid; .GAMMA.-AMINO-3-HYDROXY-5-METHYLISOXAZOLE-4-PROPIONIC ACID; 2-AMINO-3-(3-HYDROXY-5-METHYLISOXAZOL-4-YL)PROPANOIC ACID; (+/-)-.ALPHA.-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID; 2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)-propionic acid(DL-AMPA); DL-.ALPHA.-AMINO-3-HYDROXY-5-METHYLISOXAZOLE-4-PROPIONIC ACID; 110592-37-5]

InChI Key

UUDAMDVQRQNNHZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)

IUPAC Name

2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid

CAS Number

77521-29-0

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

23 23 0 0 0 0 0 0 0 0999 V2000
-1.6854 -0.7356 1.7941 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7008 0.2100 0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9401 0.127...

Download SDF File (1986 bytes)

Experimental Data

Activity Data

Target Ion Channel

Glutamate receptor ionotropic subunit kainate 4

Uniprot Accession Number

Q16099

Function

Antagonist

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

K_i: 1970 nM

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.5

Holding Potential

Not specified

Temperature

5 °C

Test Method

Binding assay ([3H] Kainate)

Test Species

CHO cell (Chinese hamster ovary cell)

Binding Information

Binding Site

Extracellular domain

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1046/j.1471-4159.1994.62010001.x

URL

N/A (Not available)

PMID

8263508

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

-0.7693

Complexity

43.3809

TPSA (Å²)

109.32

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties