Lalistat 1 - ≥98%(HPLC) , CAS No.501104-16-1

CAS: 501104-16-1 Cat. No.: L287177 Fórmula: C₁₂H₁₈N₄O₃S Peso molecular: 298.36

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-(Piperidin-1-yl)-1,2,5-thiadiazol-3-yl morpholine-4-carboxylate | 4-morpholinecarboxylic acid, 4-(1-piperidinyl)-1,2,5-thiadiazol-3-yl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

4-(Piperidin-1-yl)-1,2,5-thiadiazol-3-yl morpholine-4-carboxylate | 4-morpholinecarboxylic acid, 4-(1-piperidinyl)-1,2,5-thiadiazol-3-yl ester

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent and selective lysosomal acid lipase (LAL) inhibitor (IC50= 68 nM). Exhibits no significant activity against pancreatic lipase or lipoprotein lipase at 10 μM concentration. Blocks LAL-mediated lipid hydrolysis of acetylated LDL and reduces efflux of

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%(HPLC)

Nombres e identificadores

Pubchem Sid

528765363

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765363

Sonrisas canónicas

C1CCN(CC1)C2=NSN=C2OC(=O)N3CCOCC3

IUPAC Name

(4-piperidin-1-yl-1,2,5-thiadiazol-3-yl) morpholine-4-carboxylate

InChIKey

XAWUWPUYJUOUOF-UHFFFAOYSA-N

INCHI

1S/C12H18N4O3S/c17-12(16-6-8-18-9-7-16)19-11-10(13-20-14-11)15-4-2-1-3-5-15/h1-9H2

Isómeros SMILES

C1CCN(CC1)C2=NSN=C2OC(=O)N3CCOCC3

Peso molecular

298.36

Reaxy-Rn

20694905

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20694905&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazinanes
      • Subclass Morpholines
        • Level5 Morpholine carboxylic acids and derivatives
          • Level6 Morpholine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Morpholine carboxylic acids and derivatives
• Direct Parent: Morpholine carboxylic acids
• Alternative Parents: Dialkylarylamines Piperidines Imidolactams Thiadiazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Morpholine-4-carboxylic acid - Dialkylarylamine - Piperidine - Imidolactam - Azole - Thiadiazole - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Ether - Azacycle - Oxacycle - Dialkyl ether - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine ring substituted by one or more carboxylic acid 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

Objetivos asociados (humanos)

LIPA Tchem Lysosomal acid lipase/cholesteryl ester hydrolase (1 Activities)

Discover Target: LIPA

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

LIPA Tchem Lysosomal acid lipase/cholesteryl ester hydrolase (63 Activities)

Discover Target: LIPA

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Acinetobacter baumannii (41033 Activities)

Explore this target

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 29.84, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 29.84, Max Conc. mM: 100
• Sensibilidad: Moisture sensitive
• Peso molecular: 298.360 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 298.11 Da
• Monoisotopic Mass: 298.11 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 335.000
• 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