SR 202 - ≥98% , CAS No.76541-72-5

CAS: 76541-72-5 Cat. No.: S288929 Peso molecular: 358.65 PubChem CID: 60910

GRADE & PURITY ≥98%

Synonyms

[(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate | Dimethyl .alpha.-(dimethoxyphosphinyl)-p-chlorobenzyl phosphate | Dimethyl (alpha-dimethoxyphosphinyl-p-chlorobenzyl) phosphate | SR-202 | Mifobate (USAN/INN) | MIFOBATE [INN] | AKOS0050674

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

[(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate | Dimethyl .alpha.-(dimethoxyphosphinyl)-p-chlorobenzyl phosphate | Dimethyl (alpha-dimethoxyphosphinyl-p-chlorobenzyl) phosphate | SR-202 | Mifobate (USAN/INN) | MIFOBATE [INN] | AKOS0050674

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective PPARγ antagonist; raw material for anti-diabetic and anti-obesity drugs. Attenuate the transcriptional activity of PPARγ induced by troglitazone (IC50=140μM), without affecting the transcriptional activity of PPARα, PPARβ or FXR stimulated by th

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753726
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753726
• Sonrisas canónicas: COP(=O)(C(C1=CC=C(C=C1)Cl)OP(=O)(OC)OC)OC
• IUPAC Name: [(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
• InChIKey: VQHUQHAPWMNBLP-UHFFFAOYSA-N
• INCHI: 1S/C11H17ClO7P2/c1-15-20(13,16-2)11(19-21(14,17-3)18-4)9-5-7-10(12)8-6-9/h5-8,11H,1-4H3
• Isómeros SMILES: COP(=O)(C(C1=CC=C(C=C1)Cl)OP(=O)(OC)OC)OC
• WGK Alemania: 2
• RTECS: TB8817000
• PubChem CID: 60910
• Peso molecular: 358.65

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Trialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Trialkyl phosphates
• Alternative Parents: Dialkyl alkylphosphonates Chlorobenzenes Phosphonic acid esters Aryl chlorides Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trialkyl phosphate - Dialkyl alkylphosphonate - Chlorobenzene - Phosphonic acid diester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Phosphonic acid ester - Organophosphonic acid derivative - Organic oxygen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.
• 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

Objetivos asociados (humanos)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 35.87, Max Conc. mM: 100
• Peso molecular: 358.650 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 358.014 Da
• Monoisotopic Mass: 358.014 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 395.000
• 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