J-104123 - Moligand™ , Inhibitor of squalene synthase , CAS No.J611214, Inhibitor of squalene synthase

CAS: J611214 Cat. No.: J611214 PubChem CID: 9848748

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of squalene synthase

Nomi e identificatori

• Sorrisi canonici: C[C@@H](CC(=O)O)CC(=O)N[C@H]([C@@H](Cc1ccc(c(c1)Cl)Cl)/C=C/c1ccc2c(c1)cccc2)C
• IUPAC Name: (3R)-4-{[(2S,3S,4E)-3-[(3,4-dichlorophenyl)methyl]-5-(naphthalen-2-yl)pent-4-en-2-yl]carbamoyl}-3-methylbutanoic acid
• InChIKey: LVRZMZFXRFKCCY-KSYFVSBMSA-N
• INCHI: 1S/C28H29Cl2NO3/c1-18(14-28(33)34)13-27(32)31-19(2)23(16-21-9-12-25(29)26(30)17-21)11-8-20-7-10-22-5-3-4-6-24(22)15-20/h3-12,15,17-19,23H,13-14,16H2,1-2H3,(H,31,32)(H,33,34)/b11-8+/t18-,19+,23-/m1/s1
• Isomeri SMILES: C[C@H](CC(=O)N[C@@H](C)[C@@H](CC1=CC(=C(C=C1)Cl)Cl)/C=C/C2=CC3=CC=CC=C3C=C2)CC(=O)O
• PubChem CID: 9848748

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Classe: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Lignans, neolignans and related compounds
• Alternative Parents: Naphthalenes Styrenes Dichlorobenzenes N-acyl amines Aryl chlorides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Norlignan skeleton - Naphthalene - 1,2-dichlorobenzene - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed.
• 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

Obiettivi associati (umani)

FDFT1 Tchem Squalene synthase (2 Activities)

Discover Target: FDFT1

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

Obiettivi associati (non umani)

Fdft1 Squalene synthetase (34 Activities)

Discover Target: Fdft1

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

Meccanismi d'azione

Domande frequenti

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 room temperature.

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

The CAS Number is J611214. InChIKey LVRZMZFXRFKCCY-KSYFVSBMSA-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.