Determine the necessary mass, volume, or concentration for preparing a solution.
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SKU | Size | Availability |
Price | Qty |
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A151281-1g
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1g |
2
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$11.90
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A151281-5g
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5g |
1
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$44.90
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A151281-25g
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25g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$172.90
|
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A151281-100g
|
100g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$622.90
|
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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)- | |
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Specifications & Purity | Moligand™, ≥98% |
Shipped In | Normal |
Grade | Moligand™ |
Action Type | INHIBITOR |
Mechanism of action | Inhibitor of mitochondrial pyruvate carrier 1;Inhibitor of mitochondrial pyruvate carrier 2 |
Taxonomy Tree
Kingdom | Organic compounds |
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Superclass | Phenylpropanoids and polyketides |
Class | 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 |
Description | 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 |
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Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Pubchem Sid | 504759727 |
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Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759727 |
IUPAC Name | (E)-2-cyano-3-phenylprop-2-enoic acid |
INCHI | InChI=1S/C10H7NO2/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H,12,13)/b9-6+ |
InChIKey | CDUQMGQIHYISOP-RMKNXTFCSA-N |
Smiles | C1=CC=C(C=C1)C=C(C#N)C(=O)O |
Isomeric SMILES | C1=CC=C(C=C1)/C=C(\C#N)/C(=O)O |
RTECS | GD8562500 |
Alternate CAS | 1011-92-3 |
MeSH Entry Terms | 2-cyanocinnamic acid;alpha-cyanocinnamate;alpha-cyanocinnamate, (E)-isomer |
Molecular Weight | 173.17 |
Reaxy-Rn | 389439 |
Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=389439&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
Lot Number | Certificate Type | Date | Item |
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Certificate of Analysis | Apr 16, 2024 | A151281 | |
Certificate of Analysis | Feb 04, 2024 | A151281 | |
Certificate of Analysis | Feb 04, 2024 | A151281 | |
Certificate of Analysis | Feb 04, 2024 | A151281 | |
Certificate of Analysis | Feb 04, 2024 | A151281 | |
Certificate of Analysis | Feb 04, 2024 | A151281 | |
Certificate of Analysis | Feb 04, 2024 | A151281 | |
Certificate of Analysis | Feb 04, 2024 | A151281 | |
Certificate of Analysis | Feb 04, 2024 | A151281 |
Solubility | Soluble in Methanol |
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Melt Point(°C) | 181 °C |
Molecular Weight | 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 |