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1,2,4-Oxadiazolidine-2-propanoicacid, a-amino-3,5-dioxo-, (aS)- (52809-07-1)

Identification
Name:1,2,4-Oxadiazolidine-2-propanoicacid, a-amino-3,5-dioxo-, (aS)-
Synonyms:1,2,4-Oxadiazolidine-2-propanoicacid, a-amino-3,5-dioxo-, (S)-;Quisqualic acid (7CI);L-Quisqualic acid;Quisqualinic acid;S-Quisqualic acid;
CAS:52809-07-1
Molecular Formula: C5H7N3O5
Molecular Weight: 189.13
InChI: InChI=1/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
Molecular Structure: (C5H7N3O5) 1,2,4-Oxadiazolidine-2-propanoicacid, a-amino-3,5-dioxo-, (S)-;Quisqualic acid (7CI);L-Quisqualic ac...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:1.679g/cm3
Stability:Stable. Incompatible with strong oxidizing agents.
Refractive index:1.571
Solubility:NH4OH 1 M: 20 mg/mL, clear, colorless
Appearance:white powder
Specification:

The IUPAC name of L-Quisqualic acid is (2S)-2-Amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid. With the CAS registry number 52809-07-1, it is also named as Quisqualic acid. The product's categories are amino acids 13C, 2H, 15N, amino acids & derivatives, neurochemicals, glutamate receptor, glutamate. In addition, its molecular formula is C5H7N3O5 and its molecular weight is 189.13. It is off-white solid, which should be cool and dry place at 2-8 °C. Besides, you must keep container tightly sealed. And you should ensure that workplaces have good ventilation or exhaust. Furthermore, the product is stable and incompatible with strong oxidizing agents, which is souble in NH4OH.

The other characteristics of L-Quisqualic acid can be summarized as: (1)ACD/LogP: -1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.36; (4)ACD/LogD (pH 7.4): -4.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 8; (10)H bond donors: 4; (11)Freely Rotating Bonds: 4; (12)XLogP3-AA: -3.9; (13)Rotatable Bond Count: 3; (14)Tautomer Count: 3; (15)Exact Mass: 189.03857; (16)MonoIsotopic Mass: 189.03857; (17)Topological Polar Surface Area: 122; (18)Heavy Atom Count: 13; (19)Complexity: 265; (20)Index of Refraction: 1.571; (21)Molar Refractivity: 37.02 cm3; (22)Molar Volume: 112.6 cm3; (23)Polarizability: 14.67×10-24cm3; (24)Surface Tension: 79 dyne/cm; (25)Density: 1.679 g/cm3; (26)Melting Point: 185-187 °C.

Uses of L-Quisqualic acid: this chemical is An amino acid that is able to function as an agonist at multiple excitatory amino acid receptor substrates in the central nervous system. It also has high affinity for the kainate, AMPA and the metabotropic receptors. Additionally, it Inhibits the Ca2+ and Cl- depending.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. Please wear suitable protective clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C1NC(=O)ON1C[C@H](N)C(=O)O
(2)InChI:InChI=1/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
(3)InChIKey:ASNFTDCKZKHJSW-REOHCLBHBE
(4)Std. InChI:InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
(5)Std. InChIKey:ASNFTDCKZKHJSW-REOHCLBHSA-N

Biological Activity: Glutamate receptor agonist acting at AMPA receptors and metabotropic glutamate receptors positively linked to phosphoinositide hydrolysis. Sensitizes neurons in hippocampus to depolarization by L-AP6 (the so called 'quis' effect). Also available as part of the Group I mGlu Receptor Tocriset™ .
Flash Point: °C
Storage Temperature: 2-8°C
Usage:An amino acid that is able to function as an agonist at multiple excitatory amino acid receptor substrates in the central nervous system. It also has high affinity for the kainate, AMPA and the metabotropic receptors. Inhibits the Ca2+/Cl-depende
Safety Data