3,5-Diiodothyropropionic acid - Moligand™,≥98% , CAS No.1158-10-7

CAS: 1158-10-7 Cat. No.: D166144 Formule: C₁₅H₁₂I₂O₄ Poids moléculaire: 510.06 Numéro CE: 621-102-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

3,5-diiodothyropropanoic acid | CHEBI:134267 | 3-(4-(4-Hydroxyphenoxy)-3,5-diiodophenyl)propanoicacid | 3,5-Ditpa | 3-(4-(4-Hydroxyphenoxy)-3,5-diiodophenyl)propanoic acid | BDBM50431457 | DITPA | 3,5-Diiodothyropropionic acid | EN300-2010041 | 3 5-DIIODO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

3,5-diiodothyropropanoic acid | CHEBI:134267 | 3-(4-(4-Hydroxyphenoxy)-3,5-diiodophenyl)propanoicacid | 3,5-Ditpa | 3-(4-(4-Hydroxyphenoxy)-3,5-diiodophenyl)propanoic acid | BDBM50431457 | DITPA | 3,5-Diiodothyropropionic acid | EN300-2010041 | 3 5-DIIODO

Spécifications et pureté

Moligand™,≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

MODULATOR

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CCC(=O)O)I
• IUPAC Name: 3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
• InChIKey: WONYMNWUJVKVII-UHFFFAOYSA-N
• INCHI: 1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20)
• Isomères SMILES: C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CCC(=O)O)I
• Poids moléculaire: 510.06
• Reaxy-Rn: 2706425
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2706425&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Phenylpropanoic acids Diarylethers Phenoxy compounds Phenol ethers Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Monocarboxylic acids and derivatives Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - 3-phenylpropanoic-acid - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organoiodide - Carbonyl group - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Cibles associées (humaines)

PCNA Tchem Proliferating cell nuclear antigen (81 Activities)

Discover Target: PCNA

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 510.060 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 509.882 Da
• Monoisotopic Mass: 509.882 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 333.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 should this product be stored?

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

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 1158-10-7, the molecular formula is C15H12I2O4, and the molecular weight is 510.06 g/mol. InChIKey WONYMNWUJVKVII-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.