Neboglamine - ≥98% , Glutamate [NMDA] receptor positive allosteric modulator, CAS No.163000-63-3, Glutamate [NMDA] receptor positive allosteric modulator

CAS: 163000-63-3 Cat. No.: N670997 Molecular Weight: 256.34 EC Number: 634-066-2 PubChem CID: 3074827

GRADE & PURITY ≥98%

Synonyms

Neboglamine | Tox21_111254 | NCGC00094157-01 | EU-0100826 | DTXSID2045787 | SDCCGSBI-0050803.P002 | SCHEMBL1353060 | 4-amino-5-((4,4-dimethylcyclohexyl)amino)-5-oxopentanoic acid | CR 2249 | XY-2401 | Cr2249 | CR-2249 | XY2401 | XY 2401

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Neboglamine, a glycine NMDA-associated agonist, is used potentially for the treatment of schizophrenia.

Specifications

Synonyms

Neboglamine | Tox21_111254 | NCGC00094157-01 | EU-0100826 | DTXSID2045787 | SDCCGSBI-0050803.P002 | SCHEMBL1353060 | 4-amino-5-((4, 4-dimethylcyclohexyl)amino)-5-oxopentanoic acid | CR 2249 | XY-2401 | Cr2249 | CR-2249 | XY2401 | XY 2401

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

POSITIVE ALLOSTERIC MODULATOR

Mechanism of action

Glutamate [NMDA] receptor positive allosteric modulator

Purity

≥98%

Product Properties

• ALogP: -1.3

Names and Identifiers

• Canonical Smiles: CC1(CCC(CC1)NC(=O)C(CCC(=O)O)N)C
• IUPAC Name: (4S)-4-amino-5-[(4,4-dimethylcyclohexyl)amino]-5-oxopentanoic acid
• InChIKey: VCRGLZYPNNAVRP-JTQLQIEISA-N
• INCHI: 1S/C13H24N2O3/c1-13(2)7-5-9(6-8-13)15-12(18)10(14)3-4-11(16)17/h9-10H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)/t10-/m0/s1
• Isomeric SMILES: CC1(CCC(CC1)NC(=O)[C@H](CCC(=O)O)N)C
• PubChem CID: 3074827
• Molecular Weight: 256.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamic acid and derivatives
• Alternative Parents: Alpha amino acid amides Amino fatty acids N-acyl amines Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Glutamic acid or derivatives - Alpha-amino acid amide - Amino fatty acid - Fatty amide - N-acyl-amine - Fatty acyl - Fatty acid - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Primary amine - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Associated Targets(Human)

HEK293 (82097 Activities)

Explore this target

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 256.339 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 256.179 Da
• Monoisotopic Mass: 256.179 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 305.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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