BCI hydrochloride
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MedKoo CAT#: 527814

CAS#: 95130-23-7 (HCl)

Description: BCI hydrochloride is an allosteric inhibitor of Dusp6, acting within the phosphatase domain to prevent the catalytic stimulation of phosphatase activity induced by ERK2 substrate binding.


Chemical Structure

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BCI hydrochloride
CAS# 95130-23-7 (HCl)

Theoretical Analysis

MedKoo Cat#: 527814
Name: BCI hydrochloride
CAS#: 95130-23-7 (HCl)
Chemical Formula: C22H24ClNO
Exact Mass: 317.18
Molecular Weight: 353.890
Elemental Analysis: C22H24ClNO

Price and Availability

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5mg USD 350
25mg USD 1000
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Related CAS #: 15982-84-0 (free base)   95130-23-7 (HCl)    

Synonym: BCI hydrochloride

IUPAC/Chemical Name: 2-Benzylidene-3-(cyclohexylamino)-2,3-dihydro-1H-inden-1-one hydrochloride

InChi Key: JPATUDRDKCLPTI-CRDKNBMZSA-N

InChi Code: InChI=1S/C22H23NO.ClH/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16;/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2;1H/b20-15-;

SMILES Code: O=C1/C(C(NC2CCCCC2)C3=C1C=CC=C3)=C\C4=CC=CC=C4.[H]Cl

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:
Biological target: BCI hydrochloride is an inhibitor of dual specificity phosphatase (DUSP) with EC50s of 13.3 and 8.0 μM for DUSP6 and DUSP1, respectively.
In vitro activity: BCI hydrochloride (BCI), a DUSP6 small molecule inhibitor, increased the activity of ERK but interestingly decreased the expression of ERK response genes in BGC823, SGC7901 and CDDP-resistant SGC7901/DDP cells. BCI also caused cell death through the DNA damage response (DDR) pathway. Moreover, BCI inhibited cell proliferation, migration and invasion in a receptor-independent manner and enhanced CDDP cytotoxicity at pharmacological concentrations in the gastric cancer (GC) cells. Reference: Cancer Lett. 2018 Jan 1;412:243-255. https://www.sciencedirect.com/science/article/pii/S0304383517306316?via%3Dihub
In vivo activity: In vivo experiments showed that BCI enhances the antitumor effects of CDDP (cisplatin) in cell-based xenografts and PDX models. Reference: Cancer Lett. 2018 Jan 1;412:243-255. https://www.sciencedirect.com/science/article/pii/S0304383517306316?via%3Dihub

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 2.0 5.65
DMSO 12.8 36.20
DMSO:PBS (pH 7.2) (1:1) 0.5 1.41

Preparing Stock Solutions

The following data is based on the product molecular weight 353.89 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.

Recalculate based on batch purity %
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. Wu QN, Liao YF, Lu YX, Wang Y, Lu JH, Zeng ZL, Huang QT, Sheng H, Yun JP, Xie D, Ju HQ, Xu RH. Pharmacological inhibition of DUSP6 suppresses gastric cancer growth and metastasis and overcomes cisplatin resistance. Cancer Lett. 2018 Jan 1;412:243-255. doi: 10.1016/j.canlet.2017.10.007. Epub 2017 Oct 16. PMID: 29050982. 2. Zhang F, Tang B, Zhang Z, Xu D, Ma G. DUSP6 Inhibitor (E/Z)-BCI Hydrochloride Attenuates Lipopolysaccharide-Induced Inflammatory Responses in Murine Macrophage Cells via Activating the Nrf2 Signaling Axis and Inhibiting the NF-κB Pathway. Inflammation. 2019 Apr;42(2):672-681. doi: 10.1007/s10753-018-0924-2. PMID: 30506106.
In vitro protocol: 1. Wu QN, Liao YF, Lu YX, Wang Y, Lu JH, Zeng ZL, Huang QT, Sheng H, Yun JP, Xie D, Ju HQ, Xu RH. Pharmacological inhibition of DUSP6 suppresses gastric cancer growth and metastasis and overcomes cisplatin resistance. Cancer Lett. 2018 Jan 1;412:243-255. doi: 10.1016/j.canlet.2017.10.007. Epub 2017 Oct 16. PMID: 29050982. 2. Zhang F, Tang B, Zhang Z, Xu D, Ma G. DUSP6 Inhibitor (E/Z)-BCI Hydrochloride Attenuates Lipopolysaccharide-Induced Inflammatory Responses in Murine Macrophage Cells via Activating the Nrf2 Signaling Axis and Inhibiting the NF-κB Pathway. Inflammation. 2019 Apr;42(2):672-681. doi: 10.1007/s10753-018-0924-2. PMID: 30506106.
In vivo protocol: 1. Wu QN, Liao YF, Lu YX, Wang Y, Lu JH, Zeng ZL, Huang QT, Sheng H, Yun JP, Xie D, Ju HQ, Xu RH. Pharmacological inhibition of DUSP6 suppresses gastric cancer growth and metastasis and overcomes cisplatin resistance. Cancer Lett. 2018 Jan 1;412:243-255. doi: 10.1016/j.canlet.2017.10.007. Epub 2017 Oct 16. PMID: 29050982.

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1: Wu QN, Liao YF, Lu YX, Wang Y, Lu JH, Zeng ZL, Huang QT, Sheng H, Yun JP, Xie D, Ju HQ, Xu RH. Pharmacological inhibition of DUSP6 suppresses gastric cancer growth and metastasis and overcomes cisplatin resistance. Cancer Lett. 2018 Jan 1;412:243-255. doi: 10.1016/j.canlet.2017.10.007. Epub 2017 Oct 16. PubMed PMID: 29050982.