LCQ-908 - Moligand™ , Diacylglycerol O-acyltransferase 1 inhibitor, CAS No.956136-95-1, Diacylglycerol O-acyltransferase 1 inhibitor

CAS: 956136-95-1 Cat. No.: L127165 Summenformel: C₂₅H₂₄F₃N₃O₂ Molekulargewicht: 455.47

GRADE & PURITY Moligand™

Synonyms

Pradigastat free acid | Pradigastat (USAN) | 1,1'-Bi[2-naphthalenylamine] | CYCLOHEXANEACETIC ACID, 4-(4-(5-((6-(TRIFLUOROMETHYL)-3-PYRIDINYL)AMINO)-2-PYRIDINYL)PHENYL)-, TRANS- | LCQ908; LCQ 908; Pradigastat | Q27088438 | (4-{4-[5-(6-Trifluoromethyl-pyri

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Pradigastat free acid | Pradigastat (USAN) | 1,1'-Bi[2-naphthalenylamine] | CYCLOHEXANEACETIC ACID, 4-(4-(5-((6-(TRIFLUOROMETHYL)-3-PYRIDINYL)AMINO)-2-PYRIDINYL)PHENYL)-, TRANS- | LCQ908; LCQ 908; Pradigastat | Q27088438 | (4-{4-[5-(6-Trifluoromethyl-pyri

Spezifikationen & Reinheit

Moligand™

Biochemische und physiologische Mechanismen

LCQ-908 is a new generation of diacylglycerol acyltransferase 1 (DGAT1) inhibitor as anti-obesity and anti-diabetic agents. LCQ-908 is now in phase II clinical trials.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Diacylglycerol O-acyltransferase 1 inhibitor

Produkteigenschaften

ALogP

5.7

Namen und Kennungen

Kanonisches Lächeln

C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NC=C(C=C3)NC4=CN=C(C=C4)C(F)(F)F

IUPAC Name

2-[4-[4-[5-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-2-yl]phenyl]cyclohexyl]acetic acid

InChIKey

GXALXAKNHIROPE-UHFFFAOYSA-N

INCHI

1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)

Isomere SMILES

C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NC=C(C=C3)NC4=CN=C(C=C4)C(F)(F)F

Molekulargewicht

455.47

Reaxy-Rn

13023942

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13023942&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Aminopyridines and derivatives Primary aromatic amines Benzene and substituted derivatives Heteroaromatic compounds Amino acids Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Aminopyridine - Monocyclic benzene moiety - Primary aromatic amine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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)

Homo sapiens (32628 Activities)

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Caco-2 (12174 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1719 Activities)

Discover Target: DGAT1

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Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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NIH3T3 (5395 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO
• Molekulargewicht: 455.500 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 455.182 Da
• Monoisotopic Mass: 455.182 Da
• Topological Polar Surface Area: 75.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 631.000
• 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

Häufig gestellte Fragen

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 956136-95-1, the molecular formula is C25H24F3N3O2, and the molecular weight is 455.47 g/mol. InChIKey GXALXAKNHIROPE-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.