GRADE & PURITY 2mM in DMSO

Synonyms

(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 | LY404039 | LY-404039 | UNII-531QUG7P9E | rel-(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

(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 | LY404039 | LY-404039 | UNII-531QUG7P9E | rel-(1R, 4S, 5S, 6S)-4-Amino-2-thiabicyclo[3.1

Especificaciones y pureza

2mM in DMSO

Mecanismos bioquímicos y fisiológicos

Description: IC50 Value:149nM(Ki for mGlu2);92nM(Ki for mGlu3)[1] LY404039 is a inhibitor for mGlu1 and mGlu2, which can also inhibit dopamine receptor[2].Metabotropic glutamate (mGlu) receptors have been shown to mediate a number of beha

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

AGONIST

Mecanismo de acción

Metabotropic glutamate receptor 3 agonist

Propiedades del producto

• ALogP: -4.8

Nombres e identificadores

• Sonrisas canónicas: C1C(C2C(C2S1(=O)=O)C(=O)O)(C(=O)O)N
• IUPAC Name: (1R,4S,5S,6S)-4-amino-2,2-dioxo-2λ6-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
• InChIKey: AVDUGNCTZRCAHH-MDASVERJSA-N
• INCHI: 1S/C7H9NO6S/c8-7(6(11)12)1-15(13,14)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
• Isómeros SMILES: C1[C@]([C@@H]2[C@H]([C@@H]2S1(=O)=O)C(=O)O)(C(=O)O)N
• Peso molecular: 235.21
• Reaxy-Rn: 25706756
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25706756&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: D-alpha-amino acids Thianes Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids Thiolanes Sulfones Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: D-alpha-amino acid - L-alpha-amino acid - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Thiane - Sulfone - Thiolane - Amino acid - Organoheterocyclic compound - Carboxylic acid - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• External Descriptors: Not available

Data sources

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

Objetivos asociados (humanos)

GRM2 Tchem Metabotropic glutamate receptor 2 (1 Activities)

Discover Target: GRM2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRM3 Tchem Metabotropic glutamate receptor 3 (2 Activities)

Discover Target: GRM3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRM3 Tchem Metabotropic glutamate receptor 3 (732 Activities)

Discover Target: GRM3

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

GRM4 Tchem Metabotropic glutamate receptor 4 (2320 Activities)

Discover Target: GRM4

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

GRM1 Tchem Metabotropic glutamate receptor 1 (2309 Activities)

Discover Target: GRM1

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

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

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

Objetivos asociados (no humanos)

Grm2 Metabotropic glutamate receptor 2 (1326 Activities)

Discover Target: Grm2

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

Grm8 Metabotropic glutamate receptor 8 (169 Activities)

Discover Target: Grm8

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Grm7 Metabotropic glutamate receptor 7 (580 Activities)

Discover Target: Grm7

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 235.220 g/mol
• XLogP3: -4.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 235.015 Da
• Monoisotopic Mass: 235.015 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 451.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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