(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide
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![(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e66be66a06fd4898a58b6d8df8613116.png "(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide")
(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide
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CAS No:
635318-11-5
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Formula:
C7H9NO6S
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Chemical Name:
(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide
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Synonyms:
2-Thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid,4-amino-,2,2-dioxide,(1R,4S,5S,6S)-;(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide;LY 404039;LY 404040;Pomaglumetad
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CAS No:
Description
LY404039 is an inhibitor for mGluR1(Ki=149 nM) and mGluR2(Ki= 92 nM), which can also inhibit dopamine receptor.IC50 Value:149 nM(Ki for mGlu2); 92 nM(Ki for mGlu3)[1]Target: mGluR1; mGluR2Metabotropic glutamate (mGlu) receptors have been shown to mediate a number of behaviors including emotionality and responsivity to stress as demonstrated by efficacy in preclinical and clinical studies.in vitro: Similar to LY354740, LY404039 is a nanomolar potent agonist at recombinant human mGlu2 and
LY404039 is an organic heterobicyclic compound that is (1S,5R)-2-thiabicyclo[3.1.0]hexane carrying oxo, oxo, amino, carboxy, and carboxy groups at positions 2, 2, 4S, 4S, and 6S, respectively. It is a potent agonist of group II metabotropic glutamate receptors mGluR2 mGluR3 (Ki = 149 nM and 92 nM, respectively) and exhibits antipsychotic and anxiolytic efficacy in animal models. It has a role as a metabotropic glutamate receptor agonist, an antipsychotic agent, an anxiolytic drug and a dopamine agonist. It is a dicarboxylic acid, a bridged compound, an organic heterobicyclic compound, a sulfone and a non-proteinogenic amino acid derivative.
(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide Basic Attributes
235.215
235.21
531QUG7P9E
DTXSID40212943
Computed Properties
Molecular Weight:235.22
XLogP3:-4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:235.01505818
Monoisotopic Mass:235.01505818
Topological Polar Surface Area:143
Heavy Atom Count:15
Complexity:451
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide
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