Minodronic acid(YM-529) - Moligand™, ≥99% , Farnesyl diphosphate synthase inhibitor, CAS No.180064-38-4, Farnesyl diphosphate synthase inhibitor

CAS: 180064-38-4 Cat. No.: M413217 Fórmula: C₉H₁₂N₂O₇P₂ Peso molecular: 322.15

GRADE & PURITY Moligand™, ≥99%

Synonyms

(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid | (1-Hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl)diphosphonicacid | AM84629 | Onobis | (1-Hydroxy-2-imidazo[1,1-bisphos phonate | Recalbon | s5057 | Phosphonic acid, P,P'-(

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Information

Minodronic acid Minodronic acid (YM529, ONO-5920) is a third-generation nitrogen-cotaining bisphosphonate that is used for the treatment of osteoporosis. Minodronic acid is an aminobisphosphonate that is a selective antagonist of purinergic P2X2/3 receptors involved in pain.

Specifications

Sinónimos

(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid | (1-Hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl)diphosphonicacid | AM84629 | Onobis | (1-Hydroxy-2-imidazo[1,1-bisphos phonate | Recalbon | s5057 | Phosphonic acid, P,P'-(

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

Minodronic acid (YM529, ONO-5920) is a third-generation nitrogen-cotaining bisphosphonate that is used for the treatment of osteoporosis. Minodronic acid is an aminobisphosphonate that is a selective antagonist of purinergic P2X2/3 receptors involved in p

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Farnesyl diphosphate synthase inhibitor

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

IUPAC Name

(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid

InChIKey

VMMKGHQPQIEGSQ-UHFFFAOYSA-N

INCHI

1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)

Isómeros SMILES

C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Peso molecular

322.15

Reaxy-Rn

8221092

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8221092&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyridines
• Alternative Parents: Imidazo[1,2-a]pyridines Bisphosphonates Pyridines and derivatives N-substituted imidazoles Organic phosphonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bisphosphonate - Imidazo[1,2-a]pyridine - Imidazopyridine - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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)

GGPS1 Tchem Geranylgeranyl pyrophosphate synthase (3 Activities)

Discover Target: GGPS1

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

FDPS Tclin Farnesyl pyrophosphate synthase (4 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

HFF (3142 Activities)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Geranyltranstransferase (9 Activities)

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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)

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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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

BTS1 Geranylgeranyl pyrophosphate synthase (17 Activities)

Discover Target: BTS1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro 0.5MNAOH 3.06 mg/mL (9.49 mM); DMSO: 0.001 mg/mL (0.0 mM); Water: Insoluble
• Peso molecular: 322.150 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 322.012 Da
• Monoisotopic Mass: 322.012 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 439.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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