ARN5187

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

MedKoo CAT#: 407128

CAS#: 1700693-96-4 (HCl salt)

Description: ARN5187 is a novel dual inhibitor of REV-ERBβ and autophagy with potential anticancer activity. ARN5187 showed improved cytotoxicity against BT-474 breast cancer cells compared to chloroquine, a clinically relevant autophagy inhibitor. Dual inhibition of REV-ERBβ and autophagy is an effective strategy for eliciting cytotoxicity in cancer cells. REV-ERBα and REV-ERBβ nuclear receptors regulate several physiological processes, including circadian rhythm and metabolism. the REV-ERBα gene is co-overexpressed with ERBB2 in breast cancer cell lines.


Chemical Structure

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ARN5187
CAS# 1700693-96-4 (HCl salt)

Theoretical Analysis

MedKoo Cat#: 407128
Name: ARN5187
CAS#: 1700693-96-4 (HCl salt)
Chemical Formula: C24H33ClFN3O
Exact Mass:
Molecular Weight: 434.0
Elemental Analysis: C, 66.42; H, 7.66; Cl, 8.17; F, 4.38; N, 9.68; O, 3.69

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Synonym: ARN5187; ARN-5187; ARN 5187.

IUPAC/Chemical Name: 4-(((1-(2-fluorophenyl)cyclopentyl)amino)methyl)-2-((4-methylpiperazin-1-yl)methyl)phenol hydrochloride

InChi Key: CBVUTZQHCYRANE-UHFFFAOYSA-N

InChi Code: InChI=1S/C24H32FN3O.ClH/c1-27-12-14-28(15-13-27)18-20-16-19(8-9-23(20)29)17-26-24(10-4-5-11-24)21-6-2-3-7-22(21)25;/h2-3,6-9,16,26,29H,4-5,10-15,17-18H2,1H3;1H

SMILES Code: OC1=CC=C(CNC2(C3=CC=CC=C3F)CCCC2)C=C1CN4CCN(C)CC4.[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, not in water

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

Preparing Stock Solutions

The following data is based on the product molecular weight 434.0 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

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1: Torrente E, Parodi C, Ercolani L, De Mei C, Ferrari A, Scarpelli R, Grimaldi B. Synthesis and in Vitro Anticancer Activity of the First Class of Dual Inhibitors of REV-ERBβ and Autophagy. J Med Chem. 2015 Jul 23. [Epub ahead of print] PubMed PMID: 26135471.

2: De Mei C, Ercolani L, Parodi C, Veronesi M, Lo Vecchio C, Bottegoni G, Torrente E, Scarpelli R, Marotta R, Ruffili R, Mattioli M, Reggiani A, Wade M, Grimaldi B. Dual inhibition of REV-ERBβ and autophagy as a novel pharmacological approach to induce cytotoxicity in cancer cells. Oncogene. 2015 May 14;34(20):2597-608. doi: 10.1038/onc.2014.203. Epub 2014 Jul 14. PubMed PMID: 25023698.

ARN5187

10.0mg / Not available


Additional Information

Related:
1700693-96-4 (ARN5187 HCl salt)
1287451-26-6 (ARN5187 Free base)