MedKoo Cat#: 408095 | Name: CADD522
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Description:

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

CADD522 is a potent inhibitor of runt-related transcription factor-2 (RUNX2)-DNA binding with an IC50 of 10 nM. CADD522 treatment resulted in significant growth inhibition, clonogenic survival, tumorsphere formation, and invasion of breast cancer cells. CADD522 negatively regulated transcription of RUNX2 target genes such as matrix metalloproteinase-13, vascular endothelial growth factor and glucose transporter-1, but upregulated RUNX2 expression by increasing RUNX2 stability. CADD522 reduced RUNX2-mediated increases in glucose uptake and decreased the level of CBF-β and RUNX2 phosphorylation at the S451 residue.

Chemical Structure

CADD522
CADD522
CAS#199735-88-1

Theoretical Analysis

MedKoo Cat#: 408095

Name: CADD522

CAS#: 199735-88-1

Chemical Formula: C15H13Cl2NO3

Exact Mass: 325.0272

Molecular Weight: 326.17

Elemental Analysis: C, 55.24; H, 4.02; Cl, 21.74; N, 4.29; O, 14.72

Price and Availability

Size Price Availability Quantity
10mg USD 70.00 Ready to ship
25mg USD 150.00 Ready to ship
50mg USD 250.00 Ready to ship
100mg USD 400.00 Ready to ship
200mg USD 700.00 Ready to ship
500mg USD 1,550.00 Ready to ship
1g USD 2,750.00 Ready to ship
2g USD 4,950.00 Ready to ship
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Related CAS #
No Data
Synonym
CADD522; CADD-522; CADD 522
IUPAC/Chemical Name
3-((3,4-dichlorophenyl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChi Key
YSDNWNOGHQYWPK-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H13Cl2NO3/c16-10-4-3-9(6-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(20)21/h1-4,6-8,12-13H,5H2,(H,18,19)(H,20,21)
SMILES Code
ClC1=C(Cl)C=CC(NC(C2C(C3)C=CC3C2C(O)=O)=O)=C1
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
>3 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
The RUNX2 transcription factor promotes breast cancer growth and metastasis through interactions with a variety of cofactors that activate or repress target genes.
Biological target:
CADD522 is an inhibitor of runt-related transcription factor-2 (RUNX2)-DNA binding with an IC50 of 10 nM.
In vitro activity:
In addition, CADD522 significantly suppressed the baseline OCR (BL) of MDA-468 and MCF7 cells (Figure 2C). In MDA-468 cells, CADD522-mediated inhibition was greater after 24 hr than after 6 hr despite no difference between vehicle controls. Inhibition of the baseline OCR was clearly observed in both T47D-Empty and -RUNX2 cells treated with CADD522 for 72 hr, as well as in MCF7-Empty and -RUNX2 cells with CADD522 for 30 hr (Supplementary Figure 3B). However, no significant difference was observed in the non-mitochondrial (antimycin A-resistant) OCR (NM, value at t = 63 min) between vehicle- and CADD522-treated cells (Supplementary Figure 3C and Figure 1C), indicating that CADD522 targets mitochondria rather than other cellular sources of respiration. Taken together, THESE data clearly show that CADD522 represses the key mitochondrial respiration parameters. Reference: Oncotarget. 2020 Oct 27; 11(43): 3863–3885. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7597410/
In vivo activity:
The intraperitoneal (i.p.) administration of CADD522 into the MMTV-PyMT mice (up to 20 mg/kg) delayed tumor development and reduced tumor burden in transgenic MMTV-PyMT mice. This study observed CADD522 significantly delayed the onset of the tumors (Figure 9A). Statistical analysis by the two-sample Wilcoxon rank-sum (Mann-Whitney) test revealed significance between vehicle control group and each of the CADD522-treated groups (p<0.05). Reference: Oncotarget. 2017 Sep 19; 8(41): 70916–70940. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5642608/
Solvent mg/mL mM
Solubility
DMSO 157.5 482.87
Ethanol 65.0 199.28
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 326.17 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. Kim MS, Gernapudi R, Cedeño YC, Polster BM, Martinez R, Shapiro P, Kesari S, Nurmemmedov E, Passaniti A. Targeting breast cancer metabolism with a novel inhibitor of mitochondrial ATP synthesis. Oncotarget. 2020 Oct 27;11(43):3863-3885. doi: 10.18632/oncotarget.27743. PMID: 33196708; PMCID: PMC7597410. 2. Kim MS, Gernapudi R, Choi EY, Lapidus RG, Passaniti A. Characterization of CADD522, a small molecule that inhibits RUNX2-DNA binding and exhibits antitumor activity. Oncotarget. 2017 Aug 10;8(41):70916-70940. doi: 10.18632/oncotarget.20200. PMID: 29050333; PMCID: PMC5642608.
In vitro protocol:
1. Kim MS, Gernapudi R, Cedeño YC, Polster BM, Martinez R, Shapiro P, Kesari S, Nurmemmedov E, Passaniti A. Targeting breast cancer metabolism with a novel inhibitor of mitochondrial ATP synthesis. Oncotarget. 2020 Oct 27;11(43):3863-3885. doi: 10.18632/oncotarget.27743. PMID: 33196708; PMCID: PMC7597410. 2. Kim MS, Gernapudi R, Choi EY, Lapidus RG, Passaniti A. Characterization of CADD522, a small molecule that inhibits RUNX2-DNA binding and exhibits antitumor activity. Oncotarget. 2017 Aug 10;8(41):70916-70940. doi: 10.18632/oncotarget.20200. PMID: 29050333; PMCID: PMC5642608.
In vivo protocol:
1. Kim MS, Gernapudi R, Choi EY, Lapidus RG, Passaniti A. Characterization of CADD522, a small molecule that inhibits RUNX2-DNA binding and exhibits antitumor activity. Oncotarget. 2017 Aug 10;8(41):70916-70940. doi: 10.18632/oncotarget.20200. PMID: 29050333; PMCID: PMC5642608.
1: Kim MS, Gernapudi R, Choi EY, Lapidus RG, Passaniti A. Characterization of CADD522, a small molecule that inhibits RUNX2-DNA binding and exhibits antitumor activity. Oncotarget. 2017;8(41):70916-70940. Published 2017 Aug 10. doi:10.18632/oncotarget.20200