BMY-21950 - Moligand™ , Inhibitor of hydroxymethylglutaryl-CoA reductase, CAS No.129829-03-4, Inhibitor of hydroxymethylglutaryl-CoA reductase

CAS: 129829-03-4 Cat. No.: B608168 PubChem CID: 23665941

GRADE & PURITY Moligand™

Synonyms

BMY21950 | Bmy-21950 | compound 4 [PMID: 1992149] | DTXSID001009435 | BMY-21950 SODIUM, (+/-)- | 6,8-Nonadienoic acid, 9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-, monosodium salt, (R*,S*-(E))- | UNII-1L348DM9HQ | Q27075401 | 1L34

Storage

Room temperature

Specifications

Synonyme

BMY21950 | Bmy-21950 | compound 4 [PMID: 1992149] | DTXSID001009435 | BMY-21950 SODIUM, (+/-)- | 6,8-Nonadienoic acid, 9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyl-1H-tetrazol-5-yl)-, monosodium salt, (R*,S*-(E))- | UNII-1L348DM9HQ | Q27075401 | 1L34

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of hydroxymethylglutaryl-CoA reductase

Namen und Kennungen

• Kanonisches Lächeln: O[C@@H](C[C@H](/C=C/C(=C(c1ccc(cc1)F)c1ccc(cc1)F)c1nnnn1C)O)CC(=O)[O-].[Na+]
• IUPAC Name: sodium (3S,5R,6E)-9,9-bis(4-fluorophenyl)-3,5-dihydroxy-8-(1-methyltetrazol-5-yl)nona-6,8-dienoate
• InChIKey: NTDIRNUKAZNMSW-IYVGUKHKSA-M
• INCHI: 1S/C23H22F2N4O4.Na/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15;/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33);/q;+1/p-1/b11-10+;/t18-,19-;/m0./s1
• Isomere SMILES: CN1C(=NN=N1)C(=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)/C=C/[C@@H](C[C@@H](CC(=O)[O-])O)O.[Na+]
• PubChem CID: 23665941

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Hydroxy fatty acids Unsaturated fatty acids Aryl fluorides Tetrazoles Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Azacyclic compounds Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organic sodium salts Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organofluorides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Hydroxy acid - Aryl halide - Aryl fluoride - Tetrazole - Azole - Heteroaromatic compound - Secondary alcohol - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic sodium salt - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic zwitterion - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Zugehörige Ziele (menschlich)

HMGCR Tclin 3-hydroxy-3-methylglutaryl-coenzyme A reductase (1 Activities)

Discover Target: HMGCR

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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

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.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 129829-03-4. InChIKey NTDIRNUKAZNMSW-IYVGUKHKSA-M.

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.