UK-5099 - Moligand™, 10mM in DMSO , Inhibitor of mitochondrial pyruvate carrier 1;Inhibitor of mitochondrial pyruvate carrier 2, CAS No.56396-35-1, Inhibitor of mitochondrial pyruvate carrier 1;Inhibitor of mitochondrial pyruvate carrier 2

CAS: 56396-35-1 Cat. No.: U424774 Fórmula: C₁₈H₁₂N₂O₂ Peso molecular: 288.3 Número CE: 693-266-8 PubChem CID: 6438504

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

AC-36255 | A12644 | AS-63568 | EX-A1928 | 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- | CCG-267359 | NCGC00183871-01 | SCHEMBL16620642 | 2-Cpiya | UK-5099 | (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid | 2-Cyano-3-(1-phenyl-1H-indol-3-yl)

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

application：

UK-5099 has been used:

as a mitochondrial pyruvate blocker to reduce pyruvate transportation into mitochondria in Roswell park memorial institute (RPMI) 1640 medium for prostatic cancer cell line culture

in dimethyl sulfoxide (DMSO) stock, to study the effect of inhibiting pyruvate transport into mitochondria on pro-inflammatory responses in lipopolysaccharide activated macrophages

in topical treatment in order to study its effect on hair cycle induction in experimental mice.

Specifications

Sinónimos

AC-36255 | A12644 | AS-63568 | EX-A1928 | 2-Propenoic acid, 2-cyano-3-(1-phenyl-1H-indol-3-yl)- | CCG-267359 | NCGC00183871-01 | SCHEMBL16620642 | 2-Cpiya | UK-5099 | (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid | 2-Cyano-3-(1-phenyl-1H-indol-3-yl)

Especificações e pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Inhibitor of plasma membrane monocarboxylate transporters (MCTs) and the mitochondrial pyruvate carrier (MPC).UK-5099 induces lactate generation.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of mitochondrial pyruvate carrier 1;Inhibitor of mitochondrial pyruvate carrier 2

Nomes e identificadores

Pubchem Sid

528767577

Sorrisos canónicos

C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)O

IUPAC Name

(E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid

InChIKey

BIZNHCWFGNKBBZ-JLHYYAGUSA-N

INCHI

1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+

SMILES isoméricas

C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)O

WGK Alemanha

3

PubChem CID

6438504

Peso molecular

288.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: Indoles Benzene and substituted derivatives Heteroaromatic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenylpyrrole - Indole - Indole or derivatives - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole 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

Alvos associados (humanos)

MPC2 Tbio Mitochondrial pyruvate carrier 2 (0 Activities)

Discover Target: MPC2

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

MPC1 Tbio Mitochondrial pyruvate carrier 1 (0 Activities)

Discover Target: MPC1

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

SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

Discover Target: SLC16A1

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 288.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 288.09 Da
• Monoisotopic Mass: 288.09 Da
• Topological Polar Surface Area: 66.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 498.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1