NE10790 - Moligand™, ≥98% , Inhibitor of farnesyl diphosphate synthase, CAS No.152831-36-2, Inhibitor of farnesyl diphosphate synthase

CAS: 152831-36-2 Cat. No.: N612202 Summenformel: C₈H₁₀NO₆P Molekulargewicht: 247.14 PubChem CID: 10014835

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-hydroxy-2-phosphono-3-pyridin-3-ylpropanoic acid | DTXSID001249251 | 3-PEHPC3-PEHPC | 3-(3-Pyridyl)-2-hydroxy-2-phosphonopropanoic acid | 3-Pyridinepropanoic acid, alpha-hydroxy-alpha-phosphono- | AC-6171 | 2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

NE 10790, a poor farnesyl pyrophosphate synthase inhibitor, is a phosphonocarboxylate analogue of the potent bisphosphonate risedronate and is a weak antiresorptive agent.

Specifications

Synonyme

2-hydroxy-2-phosphono-3-pyridin-3-ylpropanoic acid | DTXSID001249251 | 3-PEHPC3-PEHPC | 3-(3-Pyridyl)-2-hydroxy-2-phosphonopropanoic acid | 3-Pyridinepropanoic acid, alpha-hydroxy-alpha-phosphono- | AC-6171 | 2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

3-PEHPC (NE 10790), a phosphonocarboxylate analogue of the bisphosphonate risedronate, is a potent and selective inhibitor of geranylgeranyl transferase II (GGTase II). Potent and selective inhibitor of geranylgeranyl transferase II (GGTase II)

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

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 farnesyl diphosphate synthase

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=CN=C1)CC(C(=O)O)(O)P(=O)(O)O
• IUPAC Name: 2-hydroxy-2-phosphono-3-pyridin-3-ylpropanoic acid
• InChIKey: FJVYPXVLXQXDHM-UHFFFAOYSA-N
• INCHI: 1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)
• Isomere SMILES: C1=CC(=CN=C1)CC(C(=O)O)(O)P(=O)(O)O
• Alternative CAS-Nummer: 152831-36-2
• PubChem CID: 10014835
• MeSH-Eintrag: 2-(3-pyridinyl)-1-hydroxyethylidene-1,1-phosphonocarboxylic acid;3-PEHPC;NE 10790;NE-10790;NE10790
• Molekulargewicht: 247.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Alpha hydroxy acids and derivatives Organic phosphonic acids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-hydroxy acid - Hydroxy acid - Pyridine - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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)

FDPS Tclin Farnesyl pyrophosphate synthase (2 Activities)

Discover Target: FDPS

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

FDPS Tclin Farnesyl diphosphate synthase (1240 Activities)

Discover Target: FDPS

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

GGPS1 Tchem Geranylgeranyl pyrophosphate synthetase (715 Activities)

Discover Target: GGPS1

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

RPMI-8226 (44974 Activities)

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

RABGGTA Tdark Geranylgeranyl transferase type II alpha subunit (2 Activities)

Discover Target: RABGGTA

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

Zugehörige Ziele (nicht menschlich)

Rattus norvegicus (775804 Activities)

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

J774 (3120 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light & Moisture sensitive
• Molekulargewicht: 247.140 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 247.025 Da
• Monoisotopic Mass: 247.025 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 316.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1