AL082D06 - 10mM in DMSO , CAS No.256925-03-8

CAS: 256925-03-8 Cat. No.: A422897 분자식: C₂₃H₂₄ClN₃O₂ 분자량: 409.91

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

개요

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

동의어

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-

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

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

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

ANTAGONIST

이름과 식별자

• Pubchem Sid: 528763070
• 정식 스마일: 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
• 이성체 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
• 분자량: 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
    • 분류 Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

Explore this target

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

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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