Synta66 - Moligand™, ≥99%, used for Synta66 has been used: as a Ca2+ release-activated calcium (CRAC) channel inhibitor to study its effects on ORAI isoforms as an ORAI1 blocker to study its effects on the entry of Ca2+ in chronic lymphocytic leukemia (CL

CAS: 835904-51-3 Cat. No.: S649444 Fórmula: C₂₀H₁₇FN₂O₃ Peso molecular: 352.36 PubChem CID: 11337104

GRADE & PURITY Moligand™, ≥99%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Synta66 is an inhibitor of store-operated calcium entry channel Orai , which forms the pore of the CRAC channel, and used for the research of neurological disease .

In Vitro

Synta66 is an inhibitor of Orai, which forms the pore of the CRAC channel. Synta66 (10 μM) attenuates peak SOCE in Müller glia. Synta66 (10 μM) prevents orai channels mediating the residual SOC current in Trpc1 −/− Müller cells. Synta66 (10 μM) nearly completely blocks the Ca 2+ entry signal evoked by CaCl 2 addition, whereas it moderately reduces Ca 2+ mobilization from stores with 10% to 30% in platelet. Synta66 (10 μM) suppresses human platelet activation in plasma and whole-blood thrombus formation. Synta66 (10 μM) also inhibits murine platelet responses and thrombus formation. Synta66 (10 μM) inhibits LAD2 human mast cell line. Synta66 (10 μM) significantly inhibits FcεRI stimulated histamine and TNFα secretion, and has differential effects on FcεRI stimulated prostaglandin D2 and cytokine release in human lung mast cells (HLMCs)

Specifications

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

A selective SOCE inhibitor that blocks CRAC current (ICRAC) without significant off-target potency or affinity. Synta66 (S66) is a CRAC (Ca2+ release-activated Ca2+) channel inhibitor that blocks SOCE (store-operated Ca2+ entry) upon Ca2+ depletion from i

Aplicación

Synta66 has been used: as a Ca2+ release-activated calcium (CRAC) channel inhibitor to study its effects on ORAI isoforms as an ORAI1 blocker to study its effects on the entry of Ca2+ in chronic lymphocytic leukemia (CLL) B cells as a CRAC blocker to stud

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Desiccated

Enviado en

Ice chest + Ice pads

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

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3)F
• IUPAC Name: N-[4-(2,5-dimethoxyphenyl)phenyl]-3-fluoropyridine-4-carboxamide
• InChIKey: GFEIWXNLDKUWIK-UHFFFAOYSA-N
• INCHI: 1S/C20H17FN2O3/c1-25-15-7-8-19(26-2)17(11-15)13-3-5-14(6-4-13)23-20(24)16-9-10-22-12-18(16)21/h3-12H,1-2H3,(H,23,24)
• Isómeros SMILES: COC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3)F
• PubChem CID: 11337104
• Peso molecular: 352.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Biphenyls and derivatives Dimethoxybenzenes Pyridinecarboxamides Phenoxy compounds Anisoles Alkyl aryl ethers Aryl fluorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Biphenyl - Dimethoxybenzene - P-dimethoxybenzene - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Pyridine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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)

U2OS (164939 Activities)

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

HEK293 (82097 Activities)

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

HEK-293T (167025 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 77.5 mg/mL (219.95 mM; Need ultrasonic)
• Peso molecular: 352.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 352.122 Da
• Monoisotopic Mass: 352.122 Da
• Topological Polar Surface Area: 60.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 456.000
• 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