SSR128129E - ≥98% , CAS No.848318-25-2

CAS: 848318-25-2 Cat. No.: S275943 Molecular Weight: 346.31 PubChem CID: 68853159

GRADE & PURITY ≥98%

Synonyms

2-Amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoatesodiumsalt | sodium | 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate

Storage

Store at -20°C,Argon charged,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

2-Amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoatesodiumsalt | sodium | 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Selective allosteric FGFR inhibitor (IC 50 = 1.9 μM, FGFR1). Potent antiproliferative agent. Potently inhibits FGF2-induced epithelial cell proliferation and migration (IC 50 values are 31 and 15 nM respectively).

Storage

Store at -20°C, Argon charged, 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

• Pubchem Sid: 504771948
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771948
• Canonical Smiles: CC1=C(N2C=CC=CC2=C1OC)C(=O)C3=CC(=C(C=C3)N)C(=O)[O-].[Na+]
• IUPAC Name: sodium;2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate
• InChIKey: JFBMSTWZURKQOC-UHFFFAOYSA-M
• INCHI: 1S/C18H16N2O4.Na/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23;/h3-9H,19H2,1-2H3,(H,22,23);/q;+1/p-1
• Isomeric SMILES: CC1=C(N2C=CC=CC2=C1OC)C(=O)C3=CC(=C(C=C3)N)C(=O)[O-].[Na+]
• PubChem CID: 68853159
• Molecular Weight: 346.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Aryl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: Aminobenzoic acids Indolizines Benzoic acids Aniline and substituted anilines Benzoyl derivatives Alkyl aryl ethers Substituted pyrroles Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Amino acids Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl-phenylketone - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Indolizine - Pyrrolopyridine - Benzoyl - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic salt - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organopnictogen compound - Organic oxide - Amine - Organonitrogen compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
• External Descriptors: organic sodium salt

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 DMSO to 100 mM
• Sensitivity: Moisture sensitive.
• Molecular Weight: 346.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 346.093 Da
• Monoisotopic Mass: 346.093 Da
• Topological Polar Surface Area: 96.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 503.000
• 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: 2

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