Information
BCI-121 BCI-121 is a potent inhibitor of SMYD3 that impairs the proliferation of many kinds of cancer cells.
Targets
SMYD3
| Pubchem Sid | 504760168 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760168 |
| Canonical Smiles | C1CN(CCC1C(=O)N)CC(=O)NC2=CC=C(C=C2)Br |
| IUPAC Name | 1-[2-(4-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide |
| InChIKey | KSUYPIXCRPCPGF-UHFFFAOYSA-N |
| INCHI | 1S/C14H18BrN3O2/c15-11-1-3-12(4-2-11)17-13(19)9-18-7-5-10(6-8-18)14(16)20/h1-4,10H,5-9H2,(H2,16,20)(H,17,19) |
| Isomeric SMILES | C1CN(CCC1C(=O)N)CC(=O)NC2=CC=C(C=C2)Br |
| Molecular Weight | 340.22 |
| Reaxy-Rn | 31135450 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31135450&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Piperidinecarboxamides Anilides N-arylamides Bromobenzenes Aryl bromides Trialkylamines Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid amide - Anilide - Piperidinecarboxamide - N-arylamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2220364 | Certificate of Analysis | May 09, 2025 | B413651 |
| Solubility | Solubility (25°C) In vitro DMSO: 68 mg/mL (199.87 mM); Ethanol: 68 mg/mL (199.87 mM); Water: ˂1 mg/mL |
|---|---|
| Molecular Weight | 340.220 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 339.058 Da |
| Monoisotopic Mass | 339.058 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 348.000 |
| 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 |
