Hydroxy-2-naphthalenylmethylphosphonic acid (HNMPA) - ≥98% , CAS No.120943-99-9

CAS: 120943-99-9 Cat. No.: H274665 Molecular Weight: 238.2

GRADE & PURITY ≥98%

Synonyms

(Hydroxy-2-naphthalenylmethyl)phosphonic acid | BiomolKI2_000010 | FT-0669889 | [hydroxy(naphthalen-2-yl)methyl]phosphonic acid | MFCD00674174 | Phosphonic acid, P-(hydroxy-2-naphthalenylmethyl)- | AKOS030254673 | CCG-100625 | (Hydroxy-2-naphthylmethyl)ph

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

(Hydroxy-2-naphthalenylmethyl)phosphonic acid | BiomolKI2_000010 | FT-0669889 | [hydroxy(naphthalen-2-yl)methyl]phosphonic acid | MFCD00674174 | Phosphonic acid, P-(hydroxy-2-naphthalenylmethyl)- | AKOS030254673 | CCG-100625 | (Hydroxy-2-naphthylmethyl)ph

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Insulin receptor tyrosine kinase inhibitor (IC 50 = 100 µM). Inhibits serine and tyrosine autophosphorylation by the human insulin receptor. Membrane impermeable (membrane permeable analog available ).

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O
• IUPAC Name: [hydroxy(naphthalen-2-yl)methyl]phosphonic acid
• InChIKey: AMJJLDJPDLKNJA-UHFFFAOYSA-N
• INCHI: 1S/C11H11O4P/c12-11(16(13,14)15)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11-12H,(H2,13,14,15)
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O
• Molecular Weight: 238.2
• Reaxy-Rn: 4315660
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4315660&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Organic phosphonic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Organophosphonic acid derivative - Organophosphonic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organophosphorus compound - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Chemical and Physical Properties

• Solubility: Soluble in ethanol to 100 mM and in DMSO to 100 mM
• Molecular Weight: 238.180 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 238.039 Da
• Monoisotopic Mass: 238.039 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 288.000
• 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