HX 531 - Moligand™, ≥98%(HPLC) , Antagonist of Retinoid X receptor-α, CAS No.188844-34-0, Antagonist of Retinoid X receptor-α

CAS: 188844-34-0 Cat. No.: H287547 分子式: C₂₉H₂₉N₃O₄ 分子量: 483.56

グレード＆純度 Moligand™, ≥98%(HPLC)

Synonyms

DTXSID801107570 | HY-108521 | BDBM50218464 | 4-(7,8,9,10-Tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoic acid | CID 11755040 | (Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-tetrahydro-5H-benzo[b]naphtho[2,

Storage

Store at 2-8°C

Shipped In

Wet ice

仕様

同義語

DTXSID801107570 | HY-108521 | BDBM50218464 | 4-(7,8,9,10-Tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoic acid | CID 11755040 | (Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-tetrahydro-5H-benzo[b]naphtho[2,

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

Potent RXR antagonist (IC50= 18 nM). Promotes white and brown pre-adipocyte differentiation into white adipocytes. Also inhibitsbexarotene-induced brown adipogenic reprogramming of myoblasts.

保管条件

Store at 2-8°C

入荷

Wet ice

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。

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of Retinoid X receptor-α

純度

≥98%(HPLC)

名前と識別子

カノニカル・スマイル

CC1(CCC(C2=C1C=C3C(=C2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)C

IUPAC Name

4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid

InChIKey

SXKPGYKPQPYJER-UHFFFAOYSA-N

INCHI

1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34)

異性体SMILES

CC1(CCC(C2=C1C=C3C(=C2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)C

分子量

483.56

Reaxy-Rn

8522214

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8522214&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzodiazepines
      • Subclass Dibenzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzodiazepines
• Subclass: Dibenzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzodiazepines
• Alternative Parents: Alkyldiarylamines 1,4-benzodiazepines Tetralins Benzoic acids Benzoyl derivatives Nitroaromatic compounds Amino acids Ketimines Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzodiazepine - Alkyldiarylamine - 1,4-benzodiazepine - Tetralin - Benzoic acid or derivatives - Benzoic acid - Nitroaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Ketimine - C-nitro compound - Tertiary amine - Organic nitro compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Imine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organic zwitterion - Organic salt - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as dibenzodiazepines. These are compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring.
• 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）

RXRB Tclin Retinoic acid receptor RXR-beta (1 Activities)

Discover Target: RXRB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RXRA Tclin Retinoic acid receptor RXR-alpha (1 Activities)

Discover Target: RXRA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RXRG Tclin Retinoid X receptor gamma (646 Activities)

Discover Target: RXRG

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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:DMSO, Max Conc. mg/mL: 9.67, Max Conc. mM: 20
• 分子量: 483.600 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 483.216 Da
• Monoisotopic Mass: 483.216 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 901.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 188844-34-0, the molecular formula is C??H??N?O?, and the molecular weight is 483.56 g/mol. InChIKey SXKPGYKPQPYJER-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.