GRADE & PURITY ≥95%

Synonyms

1-[2-[(2-Carboxyphenyl)methylene]hydrazide]heptanoic acid | 7-[2-(2-Carboxybenzylidene)hydrazinyl]-7-oxoheptanoicacid | 2-((E)-((Z)-(6-carboxy-1-hydroxyhexylidene)hydrazono)methyl)benzoic acid

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1-[2-[(2-Carboxyphenyl)methylene]hydrazide]heptanoic acid | 7-[2-(2-Carboxybenzylidene)hydrazinyl]-7-oxoheptanoicacid | 2-((E)-((Z)-(6-carboxy-1-hydroxyhexylidene)hydrazono)methyl)benzoic acid

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Potent cell-permeable definitive endoderm formation inducer (EC 50 = 125 nM, ESC) similar to IDE 2 . Induces Sox17 expression. Activates TGF-β signaling and downstream Smad2 phosphorylation. Upregulates Nodal expression. Induces gut tube forma

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

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C(=C1)C=NNC(=O)CCCCCC(=O)O)C(=O)O
• IUPAC Name: 2-[(E)-(6-carboxyhexanoylhydrazinylidene)methyl]benzoic acid
• InChIKey: ABKJCDILEUEJSH-MHWRWJLKSA-N
• INCHI: 1S/C15H18N2O5/c18-13(8-2-1-3-9-14(19)20)17-16-10-11-6-4-5-7-12(11)15(21)22/h4-7,10H,1-3,8-9H2,(H,17,18)(H,19,20)(H,21,22)/b16-10+
• Isomeric SMILES: C1=CC=C(C(=C1)/C=N/NC(=O)CCCCCC(=O)O)C(=O)O
• Molecular Weight: 306.31
• Reaxy-Rn: 29831028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29831028&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Medium-chain fatty acids Benzoyl derivatives Amino fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Medium-chain fatty acid - Amino fatty acid - Fatty acyl - Fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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 DMSO to 75 mM and in ethanol to 25 mM (with warming)
• Molecular Weight: 306.310 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 306.122 Da
• Monoisotopic Mass: 306.122 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 422.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1