AL082D06 - ≥99% , CAS No.256925-03-8

CAS: 256925-03-8 Cat. No.: A413545 Molecular Weight: 409.91

GRADE & PURITY ≥99%

Synonyms

AL 082D06(D-06) | MFCD00100145 | AKOS026750194 | HY-15709 | FT-0700273 | s6608 | A911349 | D 06 | SCHEMBL6556764 | AL-082D06; AL 082D06;D06;D 06; D-06 | AL082D06 | AL-082D06 | EX-A877 | 4,4'-((2-chloro-5-nitrophenyl)methylene)bis(N,N-dimethylaniline) | J-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

AL082D06 AL082D06 is a nonsteroidal glucocorticoid receptor (GR) antagonist with no detectable binding affinity for the highly related receptors for mineralocorticoids, androgens, estrogens, and progestins.

Targets

Glucocorticoid receptor 210 nM(Ki)

In vitro

D06 can antagonize steroid-mediated induction of glutamine synthetase RNA in MG63 cells and TAT enzyme in human skin fibroblasts. It can act to inhibit both transcriptional activation and repression by receptor in a variety of cell types on a variety of genes. D06 partially blocks glucocorticoid receptor (GR) translocation to the nucleus, and completely blocks DNA binding by the receptor.

Specifications

Synonyms

AL 082D06(D-06) | MFCD00100145 | AKOS026750194 | HY-15709 | FT-0700273 | s6608 | A911349 | D 06 | SCHEMBL6556764 | AL-082D06; AL 082D06;D06;D 06; D-06 | AL082D06 | AL-082D06 | EX-A877 | 4, 4'-((2-chloro-5-nitrophenyl)methylene)bis(N, N-dimethylaniline) | J-

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

AL082D06 is a nonsteroidal glucocorticoid receptor (GR) antagonist with no detectable binding affinity for the highly related receptors for mineralocorticoids, androgens, estrogens, and progestins.

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.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504764914
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764914
• Canonical Smiles: CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
• IUPAC Name: 4-[(2-chloro-5-nitrophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
• InChIKey: IPICUXHYPAMJNC-UHFFFAOYSA-N
• INCHI: 1S/C23H24ClN3O2/c1-25(2)18-9-5-16(6-10-18)23(17-7-11-19(12-8-17)26(3)4)21-15-20(27(28)29)13-14-22(21)24/h5-15,23H,1-4H3
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl
• Molecular Weight: 409.91
• Reaxy-Rn: 11688930
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11688930&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Dialkylarylamines Aniline and substituted anilines Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Tertiary amine - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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)

SLC2A1 Tchem Glucose transporter (14755 Activities)

Discover Target: SLC2A1

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

HepG2 (196354 Activities)

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 10 mg/mL (24.39 mM); Water: Insoluble; Ethanol: Insoluble
• Molecular Weight: 409.900 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 409.156 Da
• Monoisotopic Mass: 409.156 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 495.000
• 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