BCI-121 | CAS#432529-82-3 | SMYD3 inhibitor

MedKoo Cat#: 562274 | Name: BCI-121

Description:

WARNING: This product is for research use only, not for human or veterinary use.

BCI-121 is an SMYD3 inhibitor. It acts by impairing cancer cell growth.

Chemical Structure

BCI-121

CAS#432529-82-3

Theoretical Analysis

MedKoo Cat#: 562274

Name: BCI-121

CAS#: 432529-82-3

Chemical Formula: C14H18BrN3O2

Exact Mass: 339.0582

Molecular Weight: 340.22

Elemental Analysis: C, 49.42; H, 5.33; Br, 23.49; N, 12.35; O, 9.41

Price and Availability

Size	Price	Availability
50mg	USD 350.00	2 Weeks
100mg	USD 550.00	2 Weeks
250mg	USD 950.00	2 Weeks

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Related CAS #

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Synonym

BCI-121; BCI 121; BCI121;

IUPAC/Chemical Name

4-(Aminocarbonyl)-N-(4-bromophenyl)-1-piperidineacetamide

InChi Key

KSUYPIXCRPCPGF-UHFFFAOYSA-N

InChi Code

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)

SMILES Code

O=C(NC1=CC=C(Br)C=C1)CN2CCC(C(N)=O)CC2

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

BCI-121 is a SMYD3 inhibitor.

In vitro activity:

Depletion of SMYD3 by the SMYD3 inhibitor BCI-121 decreased spheroid invasion and adhesion. SMYD3-deficient cells regained the ability to invade and adhere after forced overexpression of SMYD3, ITGB6 and ITGAM. Reference: Int J Cancer. 2020 Mar 15;146(6):1553-1567. https://onlinelibrary.wiley.com/doi/10.1002/ijc.32673

In vivo activity:

In vivo, SMYD3 knockdown inhibited tumor metastasis and reduced ascites volume in both the intraperitoneal xenograft model and a PDX model. Reference: Int J Cancer. 2020 Mar 15;146(6):1553-1567. https://onlinelibrary.wiley.com/doi/10.1002/ijc.32673

	Solvent	mg/mL	mM
Solubility
	DMF	30.0	88.18
	DMSO	66.0	193.99
	DMSO:PBS (pH 7.2) (1:2)	0.3	0.97
	Ethanol	39.0	114.63

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 340.22 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Lyu T, Jiang Y, Jia N, Che X, Li Q, Yu Y, Hua K, Bast RC Jr, Feng W. SMYD3 promotes implant metastasis of ovarian cancer via H3K4 trimethylation of integrin promoters. Int J Cancer. 2020 Mar 15;146(6):1553-1567. doi: 10.1002/ijc.32673. Epub 2019 Oct 30. PMID: 31503345.

In vitro protocol:

In vivo protocol:

1: Huang L, Xu AM. SET and MYND domain containing protein 3 in cancer. Am J Transl Res. 2017 Jan 15;9(1):1-14. eCollection 2017. Review. PubMed PMID: 28123630; PubMed Central PMCID: PMC5250700. 2: Peserico A, Germani A, Sanese P, Barbosa AJ, Di Virgilio V, Fittipaldi R, Fabini E, Bertucci C, Varchi G, Moyer MP, Caretti G, Del Rio A, Simone C. A SMYD3 Small-Molecule Inhibitor Impairing Cancer Cell Growth. J Cell Physiol. 2015 Oct;230(10):2447-2460. doi: 10.1002/jcp.24975. PubMed PMID: 25728514; PubMed Central PMCID: PMC4988495.