Eprotirome (KB2115) - ≥98% , Thyroid hormone receptor beta-1 agonist, CAS No.355129-15-6, Thyroid hormone receptor beta-1 agonist

CAS: 355129-15-6 Cat. No.: E412333 Fórmula: C₁₈H₁₇Br₂NO₅ Peso molecular: 487.14

GRADE & PURITY ≥98%

Synonyms

DTXSID10319332 | 3-((3,5-DIBROMO-4-(4-HYDROXY-3-(PROPAN-2-YL)PHENOXY)PHENYL)AMINO)-3-OXOPROPANOIC ACID | SCHEMBL759034 | D82452 | BDBM50385105 | 3-((3,5-Dibromo-4-(4-hydroxy-3-(1-methylethyl)phenoxy)phenyl)amino)-3-oxopropanoic acid | EPROTIROME [MI] | 3-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Eprotirome (KB2115) Eprotirome (KB2115) is a liver-selective agonist of thyroid hormone receptor (TR) . Eprotirome is investigated for the potential treatment of dyslipidemias and obesity.

Targets

THR

Specifications

Sinónimos

DTXSID10319332 | 3-((3,5-DIBROMO-4-(4-HYDROXY-3-(PROPAN-2-YL)PHENOXY)PHENYL)AMINO)-3-OXOPROPANOIC ACID | SCHEMBL759034 | D82452 | BDBM50385105 | 3-((3,5-Dibromo-4-(4-hydroxy-3-(1-methylethyl)phenoxy)phenyl)amino)-3-oxopropanoic acid | EPROTIROME [MI] | 3-

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Eprotirome (KB2115) is a liver-selective agonist of thyroid hormone receptor (TR). Eprotirome is investigated for the potential treatment of dyslipidemias and obesity.

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.

Tipo de ação

AGONIST

Mecanismo de ação

Thyroid hormone receptor beta-1 agonist

Pureza

≥98%

Propriedades do produto

• ALogP: 5

Nomes e identificadores

• Pubchem Sid: 504765381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765381
• Sorrisos canónicos: CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CC(=O)O)Br)O
• IUPAC Name: 3-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]-3-oxopropanoic acid
• InChIKey: VPCSYAVXDAUHLT-UHFFFAOYSA-N
• INCHI: 1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25)
• SMILES isoméricas: CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)NC(=O)CC(=O)O)Br)O
• Peso molecular: 487.14
• Reaxy-Rn: 11751909
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11751909&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: Bromodiphenyl ethers
• Alternative Parents: Diarylethers Phenylpropanes Anilides Cumenes Phenoxy compounds Phenol ethers N-arylamides 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes 1,3-dicarbonyl compounds Aryl bromides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromodiphenyl ether - Diaryl ether - Cumene - Phenylpropane - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Aryl bromide - 1,3-dicarbonyl compound - Aryl halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organobromide - Organic oxygen compound - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo 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

Alvos associados (humanos)

THRA Tclin Thyroid hormone receptor alpha (1 Activities)

Discover Target: THRA

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

THRB Tclin Thyroid hormone receptor beta (1 Activities)

Discover Target: THRB

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

THRA Tclin Thyroid hormone receptor alpha (894 Activities)

Discover Target: THRA

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

Homo sapiens (32628 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 97 mg/mL (199.12 mM); Ethanol: 97 mg/mL (199.12 mM); Water: Insoluble
• Peso molecular: 487.100 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 486.945 Da
• Monoisotopic Mass: 484.947 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 492.000
• 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