Products for Research Use Only

BCI-121

CAT: 0013-GTR19168544-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168544-07Size:100 mg
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Description
BCI-121 is a substrate-competitive inhibitor targeting the lysine methyltransferase SMYD3. It has been shown to suppress cancer cell proliferation in vitro and demonstrates potential for oncology research, including studies on tumor growth in vivo.
CAS Number
432529-82-3
Product Name Alternative
BCI 121, BCI121, BCI-121, Inhibitor, HistoneMethyltransferase, Histone Methyltransferase, inhibit, SMYD3
Field of Research
Epigenetics & Chromatin
Purity
99.67% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (11.76 mM) ; DMSO:100 mg/mL (293.93 mM)
Smiles
NC (=O) C1CCN (CC (=O) Nc2ccc (Br) cc2) CC1
Molecular Formula
C14H18BrN3O2
Molecular Weight
340.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[2-(4-Bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CAS Number432529-82-3
PubChem CID795875
IUPAC Name1-[2-(4-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22
XLogP2.1
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity348
SMILES
C1CN(CCC1C(=O)N)CC(=O)NC2=CC=C(C=C2)Br
InChI
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)
InChIKey
KSUYPIXCRPCPGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(4-Bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CAS: 432529-82-3
CID: 795875
Formula: C14H18BrN3O2
MW: 340.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight340.22
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass339.05824
Monoisotopic Mass339.05824
Topological Polar Surface Area75.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes