Olpadronic Acid - Moligand™, ≥95% , CAS No.63132-39-8

CAS: 63132-39-8 Cat. No.: O333101 Peso molecular: 263.12 Número EC: 831-555-4

GRADE & PURITY Moligand™, ≥95%

Synonyms

(3-(dimethylamino)-1-hydroxypropane-1,1-diyl)bis(phosphonic acid) | Me2APD | Me2-APD | Q2823292 | EN300-310746 | Phosphonic acid, (3-(dimethylamino)-1-hydroxypropylidene)bis- | UGEPSJNLORCRBO-UHFFFAOYSA-N | 874HHB2V3S | Olpadronic acid | SCHEMBL138988 | O

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Olpadronic acid (Olpadronate) is an orally active amino-bisphosphonate and inhibits bone resorption. Olpadronic acid also prevents bone destruction and tumor growth in the skeletal prostate cancer mouse model. Olpadronic acid can be used for research of osteoporosis, malignancies and rheumatoid arthritis.

Specifications

Sinónimos

(3-(dimethylamino)-1-hydroxypropane-1, 1-diyl)bis(phosphonic acid) | Me2APD | Me2-APD | Q2823292 | EN300-310746 | Phosphonic acid, (3-(dimethylamino)-1-hydroxypropylidene)bis- | UGEPSJNLORCRBO-UHFFFAOYSA-N | 874HHB2V3S | Olpadronic acid | SCHEMBL138988 | O

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Pureza

≥95%

Propiedades del producto

• pKa: pKa: 1.46 (Predicted), pKa: 9.42 (Predicted)
• Datos Ki: Hypoxanthine-guanine phosphoribosyltransferase: Ki= 126 μM (Trypanosoma brucei brucei)

Nombres e identificadores

• Sonrisas canónicas: CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
• IUPAC Name: [3-(dimethylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid
• InChIKey: UGEPSJNLORCRBO-UHFFFAOYSA-N
• INCHI: 1S/C5H15NO7P2/c1-6(2)4-3-5(7,14(8,9)10)15(11,12)13/h7H,3-4H2,1-2H3,(H2,8,9,10)(H2,11,12,13)
• Isómeros SMILES: CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
• Peso molecular: 263.12
• Reaxy-Rn: 1978172
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1978172&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphonic acids and derivatives
      • Subclass Bisphosphonates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: Organic phosphonic acids 1,3-aminoalcohols Trialkylamines Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bisphosphonate - Organophosphonic acid - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a 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

Objetivos asociados (humanos)

HPRT1 Tchem Hypoxanthine-guanine phosphoribosyltransferase (369 Activities)

Discover Target: HPRT1

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

Objetivos asociados (no humanos)

Trypanosoma brucei (78846 Activities)

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

Entamoeba histolytica (2676 Activities)

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

Plasmodium falciparum (966862 Activities)

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

Leishmania donovani (89745 Activities)

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

Trypanosoma cruzi (99888 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

Trypanosoma brucei rhodesiense (7991 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Peso molecular: 263.120 g/mol
• XLogP3: -5.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 263.032 Da
• Monoisotopic Mass: 263.032 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 283.000
• 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