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MedKoo Cat#: 407144 | Name: DEL22379 HCl

Description:

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

DEL-22379 is a potent and selective ERK Dimerization inhibitor. DEL-22379 inhibits ERK Dimerization without affecting ERK phosphorylation, forestalls tumorigenesis driven by RAS-ERK pathway oncogenes. Nearly 50% of human malignancies exhibit unregulated RAS-ERK signaling; inhibiting it is a valid strategy for antineoplastic intervention.

Chemical Structure

DEL22379 HCl
DEL22379 HCl
CAS#DEL22379 HCl

Theoretical Analysis

MedKoo Cat#: 407144

Name: DEL22379 HCl

CAS#: DEL22379 HCl

Chemical Formula: C26H29ClN4O3

Exact Mass: 444.2161

Molecular Weight: 480.99

Elemental Analysis: C, 64.93; H, 6.08; Cl, 7.37; N, 11.65; O, 9.98

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Related CAS #
181223-80-3 (free base) DEL22379 HCl
Synonym
DEL22379 HCl; DEL22379; DEL-22379; DEL 22379;
IUPAC/Chemical Name
N-(3-((5-methoxy-1H-indol-3-yl)methylene)-2-oxoindolin-5-yl)-3-(piperidin-1-yl)propanamide hydrochloride
InChi Key
OTYUFBIXLYSUMH-PNAHYYPNSA-N
InChi Code
InChI=1S/C26H28N4O3.ClH/c1-33-19-6-8-23-20(15-19)17(16-27-23)13-22-21-14-18(5-7-24(21)29-26(22)32)28-25(31)9-12-30-10-3-2-4-11-30;/h5-8,13-16,27H,2-4,9-12H2,1H3,(H,28,31)(H,29,32);1H/b22-13+;
SMILES Code
O=C(NC1=CC2=C(NC(/C2=C/C3=CNC4=C3C=C(OC)C=C4)=O)C=C1)CCN5CCCCC5.[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
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
DEL-22379 is an ERK dimerization inhibitor that binds to ERK2 with an IC50 of ~0.5 μM.
In vitro activity:
Next, the biological effects of DEL-22379 were investigated on tumor cells in culture. A panel of human cell lines harboring mutant BRAF (V600E) or RAS (Q61L or G12V) was monitored from tumor types in which these mutations are prominent. To investigate the mechanism whereby the ERK dimerization inhibitor was affecting cellular viability, its potential to induce apoptosis was analyzed. It was significantly induced upon treatment with DEL-22379 in cell lines harboring oncogenic RAS or BRAF. In A375 cells, downregulation of PEA15 induced apoptosis (Figure 4D), probably as a consequence of the drop on the levels of ERK dimers, thereby resembling the effect of DEL-22379. Remarkably, the surviving cells, with reduced ERK dimerization levels, exhibited an augmented resistance to DEL-22379 compared to parental cells (Figure 4E). Conversely, in SW1417 cells, PEA15 overexpression, and the subsequent increment on ERK dimerization, increased their sensitivity to DEL-22379 (Figures 4E and 4F). These results show that PEA15 can markedly influence ERK dimerization and add further support to the notion that sensitivity to DEL-22379 in RAS-ERK pathway mutant cells is dictated by the levels of ERK dimerization. Reference: Cancer Cell. 2015 Aug 10;28(2):170-82. https://pubmed.ncbi.nlm.nih.gov/26267534/
In vivo activity:
To test DEL-22379 antitumor effects, some of the aforementioned cell lines were xenografted into nude mice, and tumor growth was monitored after intra-peritoneal administration of the compound at 15 mg/kg. It was found that DEL-22379 markedly inhibited tumor progression for A375 cells (BRAF mutant) (Figures 5C and 5D). After detectable engraftment of the tumors (diameter > 0.4 mm), the evolution of the tumor mass was monitored in control and DEL-22379-treated mice. Remarkably, treatment with the dimerization inhibitor significantly mitigated growth of the BRAF mutant PDX (Figure 5F). Histopathological analyses of the tumors at the endpoint revealed that DEL-22379 caused extensive mucinous differentiation and cell death (Figure S3J), in agreement with those effects observed in both in vitro cultures and mouse xenografts using cancer cell lines. Reference: Cancer Cell. 2015 Aug 10;28(2):170-82. https://pubmed.ncbi.nlm.nih.gov/26267534/
Solvent mg/mL mM
Solubility
DMSO 73.0 164.21
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 480.99 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. Herrero A, Pinto A, Colón-Bolea P, Casar B, Jones M, Agudo-Ibáñez L, Vidal R, Tenbaum SP, Nuciforo P, Valdizán EM, Horvath Z, Orfi L, Pineda-Lucena A, Bony E, Keri G, Rivas G, Pazos A, Gozalbes R, Palmer HG, Hurlstone A, Crespo P. Small Molecule Inhibition of ERK Dimerization Prevents Tumorigenesis by RAS-ERK Pathway Oncogenes. Cancer Cell. 2015 Aug 10;28(2):170-82. doi: 10.1016/j.ccell.2015.07.001. PMID: 26267534.
In vitro protocol:
1. Herrero A, Pinto A, Colón-Bolea P, Casar B, Jones M, Agudo-Ibáñez L, Vidal R, Tenbaum SP, Nuciforo P, Valdizán EM, Horvath Z, Orfi L, Pineda-Lucena A, Bony E, Keri G, Rivas G, Pazos A, Gozalbes R, Palmer HG, Hurlstone A, Crespo P. Small Molecule Inhibition of ERK Dimerization Prevents Tumorigenesis by RAS-ERK Pathway Oncogenes. Cancer Cell. 2015 Aug 10;28(2):170-82. doi: 10.1016/j.ccell.2015.07.001. PMID: 26267534.
In vivo protocol:
1. Herrero A, Pinto A, Colón-Bolea P, Casar B, Jones M, Agudo-Ibáñez L, Vidal R, Tenbaum SP, Nuciforo P, Valdizán EM, Horvath Z, Orfi L, Pineda-Lucena A, Bony E, Keri G, Rivas G, Pazos A, Gozalbes R, Palmer HG, Hurlstone A, Crespo P. Small Molecule Inhibition of ERK Dimerization Prevents Tumorigenesis by RAS-ERK Pathway Oncogenes. Cancer Cell. 2015 Aug 10;28(2):170-82. doi: 10.1016/j.ccell.2015.07.001. PMID: 26267534.
1: Zaballos MA, Acuña-Ruiz A, Morante M, Riesco-Eizaguirre G, Crespo P, Santisteban P. Inhibiting ERK dimerization ameliorates BRAF-driven anaplastic thyroid cancer. Cell Mol Life Sci. 2022 Sep 3;79(9):504. doi: 10.1007/s00018-022-04530-9. PMID: 36056964; PMCID: PMC9440884. 2: Yang Y, Zhou Y, Tao L, Yang T, Zhao Y, Luo Y. Structure-activity relationship study of DEL-22379: ERK dimerization inhibitors with increased safety. Mol Divers. 2021 May;25(2):1051-1075. doi: 10.1007/s11030-020-10088-0. Epub 2020 May 6. PMID: 32377992.