Oxyphenisatin acetate - Moligand™, ≥98% , CAS No.115-33-3

CAS: 115-33-3 Cat. No.: O651292 Molecular Weight: 401.41 PubChem CID: 8269

GRADE & PURITY Moligand™, ≥98%

Synonyms

3,3-Bis(p-acetoxyphenyl)oxindole | CHEBI:135638 | Oxyphenisatine di(acetate) | Diphesatine | OXYPHENISATIN ACETATE [MI] | Oxyphenisatin acetate (USAN) | SB64142 | D05320 | NSC117186 | STL257074 | (2-Oxoindoline-3,3-diyl)bis(4,1-phenylene) diacetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Oxyphenisatin acetate, the pro-agent of oxyphenisatin, is used to be a laxative.

In Vitro

Oxyphenisatin acetate inhibits the growth of the breast cancer cell lines MCF7, T47D, HS578T, and MDA-MB-468. In the estrogen receptor (ER) positive MCF7 and T47D cells, oxyphenisatin acetate induces TNFα expression and TNFR1 degradation, indicating autocrine receptor-mediated apoptosis in these lines. Ten micromoles per liter Oxyphenisatin acetate treatment results in autophagy and mitochondrial dysfunction. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Oxyphenisatin acetate (300 mg/kg, i.p.) delivers intraperitoneally inhibited tumor growth, accompanied by phosphorylation of eIF2α and degradation of TNFR1 in an MCF7 xenograft model . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms

3, 3-Bis(p-acetoxyphenyl)oxindole | CHEBI:135638 | Oxyphenisatine di(acetate) | Diphesatine | OXYPHENISATIN ACETATE [MI] | Oxyphenisatin acetate (USAN) | SB64142 | D05320 | NSC117186 | STL257074 | (2-Oxoindoline-3, 3-diyl)bis(4, 1-phenylene) diacetate

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Oxyphenisatin acetate, the pro-agent of oxyphenisatin, is used to be a laxative.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Product Properties

• ALogP: 3.5

Names and Identifiers

• Pubchem Sid: 528770528
• Canonical Smiles: CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C
• IUPAC Name: [4-[3-(4-acetyloxyphenyl)-2-oxo-1H-indol-3-yl]phenyl] acetate
• InChIKey: PHPUXYRXPHEJDF-UHFFFAOYSA-N
• INCHI: 1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)
• Isomeric SMILES: CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C
• PubChem CID: 8269
• Molecular Weight: 401.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Indolines Phenoxy compounds Dicarboxylic acids and derivatives Secondary carboxylic acid amides Lactams Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenol ester - Indole or derivatives - Dihydroindole - Phenoxy compound - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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

Associated Targets(Human)

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 25 mg/mL (62.28 mM; Need ultrasonic)
• Molecular Weight: 401.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 401.126 Da
• Monoisotopic Mass: 401.126 Da
• Topological Polar Surface Area: 81.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 625.000
• 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