SR 202 - ≥98% , CAS No.76541-72-5

CAS: 76541-72-5 Cat. No.: S288929 分子式: C₁₁H₁₇ClO₇P₂ 分子量: 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

同義語

[(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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504753726

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504753726

カノニカル・スマイル

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

異性体SMILES

COP(=O)(C(C1=CC=C(C=C1)Cl)OP(=O)(OC)OC)OC

WGKドイツ

2

RTECS

TB8817000

PubChem CID

60910

分子量

358.65

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:water, Max Conc. mg/mL: 35.87, Max Conc. mM: 100
• 分子量: 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

よくある質問

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.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 76541-72-5, the molecular formula is C11H17ClO7P2, and the molecular weight is 358.65 g/mol. InChIKey VQHUQHAPWMNBLP-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.