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Small Molecules & Compound Libraries
Signaling Pathways
GPCR/G Protein
mGluR
Bicyclo(3.1.0)hexane-2,6-dicarboxylic acid, 2-(((2S)-2-amino-1-oxopropyl)amino)-4-(1H-1,2,4-triazol-5-ylthio)-, (1R,2S,4R,5R,6R)- , Metabotropic glutamate receptor 2 agonist, CAS No.1311385-35-9, Metabotropic glutamate receptor 2 agonist

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Bicyclo(3.1.0)hexane-2,6-dicarboxylic acid, 2-(((2S)-2-amino-1-oxopropyl)amino)-4-(1H-1,2,4-triazol-5-ylthio)-, (1R,2S,4R,5R,6R)- , Metabotropic glutamate receptor 2 agonist, CAS No.1311385-35-9, Metabotropic glutamate receptor 2 agonist

COA

Cas Number: 1311385-35-9
Molecular Weight: 355.37
PubChem CID: 53246986

In stock

Item Number

B671220

Grouped product items
SKU	Size	Availability	Price	Qty
B671220-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90

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Class C GPCR (248)

Basic Description

Synonyms	(1R,2S,4R,5R,6R)-4-((4H-1,2,4-Triazol-3-yl)thio)-2-((S)-2-aminopropanamido)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid \| Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(2S)-2-amino-1-oxopropyl]amino]-4-(1H-1,2,4-triazol-5-ylthio)-, (1R,2S,4R,5R,6R)- \| 739
Action Type	AGONIST
Mechanism of action	Metabotropic glutamate receptor 2 agonist

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Dipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Dipeptides
Alternative Parents	N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Alkylarylthioethers Cyclopropanecarboxylic acids Dicarboxylic acids and derivatives Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Sulfenyl compounds Azacyclic compounds Carboxylic acids Organopnictogen compounds Monoalkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Alanine or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - 1,2,4-triazole - Heteroaromatic compound - Azole - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	-3.2

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(1R,2S,4R,5R,6R)-2-[[(2S)-2-aminopropanoyl]amino]-4-(1H-1,2,4-triazol-5-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
INCHI	InChI=1S/C13H17N5O5S/c1-4(14)9(19)17-13(11(22)23)2-5(24-12-15-3-16-18-12)6-7(8(6)13)10(20)21/h3-8H,2,14H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,15,16,18)/t4-,5+,6-,7-,8-,13-/m0/s1
InChIKey	BBGHHIUQOKQCBW-LDZWZCGGSA-N
Smiles	CC(C(=O)NC1(CC(C2C1C2C(=O)O)SC3=NC=NN3)C(=O)O)N
Isomeric SMILES	C[C@@H](C(=O)N[C@]1(C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)O)SC3=NC=NN3)C(=O)O)N
PubChem CID	53246986
Molecular Weight	355.37

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	355.370 g/mol
XLogP3	-3.200
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	355.095 Da
Monoisotopic Mass	355.095 Da
Topological Polar Surface Area	197.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	577.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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