GGsTop - Moligand™, ≥95% , Inhibitor of γ-Glutamyltransferase, CAS No.926281-37-0, Inhibitor of γ-Glutamyltransferase

CAS: 926281-37-0 Cat. No.: G287070 Summenformel: C₁₃H₁₈NO₇P Molekulargewicht: 331.26

GRADE & PURITY Moligand™, ≥95%

Synonyms

3-[[(3-Amino-3-carboxypropyl)methoxyphosphinyl]oxy]benzeneacetic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

3-[[(3-Amino-3-carboxypropyl)methoxyphosphinyl]oxy]benzeneacetic acid

Spezifikationen & Reinheit

Moligand™, ≥95%

Biochemische und physiologische Mechanismen

Selective, irreversibleγ-glutamyl transpeptidase (GGT) inhibitor; displays no inhibitory effects on glutamine amidotransferases or asparagine synthetase. Suppresses oxidative stress by inhibiting GGT activation. Prevents ischemia/reperfusion-induced acute

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of γ-Glutamyltransferase

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528764594
• Kanonisches Lächeln: COP(=O)(CCC(C(=O)O)N)OC1=CC=CC(=C1)CC(=O)O
• IUPAC Name: 2-amino-4-[[3-(carboxymethyl)phenoxy]-methoxyphosphoryl]butanoic acid
• InChIKey: NTFPDEDRMYYPAC-UHFFFAOYSA-N
• INCHI: 1S/C13H18NO7P/c1-20-22(19,6-5-11(14)13(17)18)21-10-4-2-3-9(7-10)8-12(15)16/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16)(H,17,18)
• Isomere SMILES: COP(=O)(CCC(C(=O)O)N)OC1=CC=CC(=C1)CC(=O)O
• Molekulargewicht: 331.26
• Reaxy-Rn: 19207629
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19207629&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Phenoxy compounds Phosphonic acid diesters Phosphonic acid esters Dicarboxylic acids and derivatives Amino acids Carboxylic acids Organophosphorus compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid - Phenoxy compound - Phosphonic acid diester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Phosphonic acid ester - Organophosphonic acid derivative - Amino acid - Carboxylic acid - Organic nitrogen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

Zugehörige Ziele (menschlich)

GGCT Tchem Gamma-glutamylcyclotransferase (1 Activities)

Discover Target: GGCT

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

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

U2OS (164939 Activities)

Explore this target

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

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

Zugehörige Ziele (nicht menschlich)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Ggt1 Gamma-glutamyltranspeptidase 1 (36 Activities)

Discover Target: Ggt1

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

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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

Salmonella typhimurium (15756 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

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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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 6.63, Max Conc. mM: 20; Solvent:DMSO, Max Conc. mg/mL: 16.56, Max Conc. mM: 50
• Molekulargewicht: 331.260 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 331.082 Da
• Monoisotopic Mass: 331.082 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 442.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Hanchen Shen, Lidong Du, Changhuo Xu, Bingzhe Wang, Qingqing Zhou, Ruquan Ye, Ryan T. K. Kwok, Jacky W. Y. Lam, Guichuan Xing, Jianwei Sun, Tzu-Ming Liu, Ben Zhong Tang.  (2024)  A Near-Infrared-II Excitable Pyridinium Probe with 1000-Fold ON/OFF Ratio for γ-Glutamyltranspeptidase and Cancer Detection.  ACS Nano,      [PMID:39058791] [10.1021/acsnano.4c03963]