Zoledronic Acid - Moligand™, ≥99% , Farnesyl diphosphate synthase inhibitor, CAS No.118072-93-8, Farnesyl diphosphate synthase inhibitor

CAS: 118072-93-8 Cat. No.: Z129382 Fórmula: C₅H₁₀N₂O₇P₂ Peso molecular: 272.09 Número CE: 871-741-2 PubChem CID: 68740

GRADE & PURITY Moligand™, ≥99%

Synonyms

70HZ18PH24 | CAS-118072-93-8 | SR-05000001436 | (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid | D08689 | FT-0601384 | GTPL3177 | NCGC00159521-02 | s1314 | AB01273947-03 | 1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyldiphosphonic acid | AB01

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

70HZ18PH24 | CAS-118072-93-8 | SR-05000001436 | (1-hydroxy-2-(1H-imidazol-1-yl)ethylidene)bisphosphonic acid | D08689 | FT-0601384 | GTPL3177 | NCGC00159521-02 | s1314 | AB01273947-03 | 1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyldiphosphonic acid | AB01

Especificações e pureza

Moligand™, ≥99%

Mecanismos bioquímicos e fisiológicos

Highly potent bisphosphonate. FPP synthase inhibitor. Inhibits osteoclastogenesis (IC 50 = 15 nM). Inhibits ASM and FDPS. Activates PKC. Inhibits osteoclastic bone resorption, shows antihypocalcemic and antiangiogenic effects in vivo.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Farnesyl diphosphate synthase inhibitor

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Propriedades do produto

• ALogP: -4.3

Nomes e identificadores

• Pubchem Sid: 488184180
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184180
• Sorrisos canónicos: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
• IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
• InChIKey: XRASPMIURGNCCH-UHFFFAOYSA-N
• INCHI: 1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
• SMILES isoméricas: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O
• PubChem CID: 68740
• Peso molecular: 272.09

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphonic acids and derivatives
• Subclass: Bisphosphonates
• Intermediate Tree Nodes: Not available
• Direct Parent: Bisphosphonates
• Alternative Parents: 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 heteromonocyclic compounds
• Substituents: Bisphosphonate - N-substituted imidazole - Heteroaromatic compound - Organophosphonic acid - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: 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: imidazoles - 1,1-bis(phosphonic acid)

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

Alvos associados (humanos)

FDPS Tclin Farnesyl pyrophosphate synthase (29 Activities)

Discover Target: FDPS

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

CA2 Tclin Carbonic anhydrase 2 (2 Activities)

Discover Target: CA2

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

CA12 Tclin Carbonic anhydrase 12 (2 Activities)

Discover Target: CA12

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

CA14 Tclin Carbonic anhydrase 14 (2 Activities)

Discover Target: CA14

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

BTN3A1 Tchem Butyrophilin subfamily 3 member A1 (1 Activities)

Discover Target: BTN3A1

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

Propriedades químicas e físicas

• Solubilidade: DMSO 0.004 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Peso molecular: 272.090 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 271.996 Da
• Monoisotopic Mass: 271.996 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 327.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 118072-93-8, the molecular formula is C5H10N2O7P2, and the molecular weight is 272.09 g/mol. InChIKey XRASPMIURGNCCH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.