α-Cyanocinnamic Acid - Moligand™, ≥98% , Inhibitor of mitochondrial pyruvate carrier 1;Inhibitor of mitochondrial pyruvate carrier 2, CAS No.1011-92-3, Inhibitor of mitochondrial pyruvate carrier 1;Inhibitor of mitochondrial pyruvate carrier 2

CAS: 1011-92-3 Cat. No.: A151281 Fórmula: C₁₀H₇NO₂ Peso molecular: 173.17 Número CE: 213-788-8

GRADE & PURITY Moligand™, ≥98%

Synonyms

.alpha.-Cyano-.beta.-phenylacrylic acid | (E)-2-Cyano-3-phenylacrylicacid | Benzylidene ethylcyanoacetane | 2-Propenoic acid, 2-cyano-3-phenyl- | MFCD00016813 | AKOS000274287 | CDUQMGQIHYISOP-RMKNXTFCSA-N | GTPL11299 | Cinnamic acid, alpha-cyano-, (E)- |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

.alpha.-Cyano-.beta.-phenylacrylic acid | (E)-2-Cyano-3-phenylacrylicacid | Benzylidene ethylcyanoacetane | 2-Propenoic acid, 2-cyano-3-phenyl- | MFCD00016813 | AKOS000274287 | CDUQMGQIHYISOP-RMKNXTFCSA-N | GTPL11299 | Cinnamic acid, alpha-cyano-, (E)- |

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

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

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504759727
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759727
• Sorrisos canónicos: C1=CC=C(C=C1)C=C(C#N)C(=O)O
• IUPAC Name: (E)-2-cyano-3-phenylprop-2-enoic acid
• InChIKey: CDUQMGQIHYISOP-RMKNXTFCSA-N
• INCHI: 1S/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6+
• SMILES isoméricas: C1=CC=C(C=C1)/C=C(\C#N)/C(=O)O
• RTECS: GD8562500
• CAS alternativo: 1011-92-3
• Termos de entrada MeSH: 2-cyanocinnamic acid;alpha-cyanocinnamate;alpha-cyanocinnamate, (E)-isomer
• Peso molecular: 173.17
• Reaxy-Rn: 389439
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=389439&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Cinnamic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Cinnamic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids
• Alternative Parents: Benzene and substituted derivatives Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

Alvos associados (não humanos)

Mus musculus (284745 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de fusão (°C): 181 °C
• Peso molecular: 173.170 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.048 Da
• Monoisotopic Mass: 173.048 Da
• Topological Polar Surface Area: 61.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 266.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1011-92-3, the molecular formula is C10H7NO2, and the molecular weight is 173.17 g/mol. InChIKey CDUQMGQIHYISOP-RMKNXTFCSA-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.