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MedKoo Cat#: 562078 | Name: KEA1-97
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Description:

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

KEA1-97 is a thioredoxin-caspase 3 interaction disruptor. It has been shown to impair breast cancer pathogenicity. KEA1-97 disrupts the interaction of thioredoxin with caspase 3, activates caspases, and induces apoptosis without affecting thioredoxin activity. Moreover, KEA1-97 impairs in vivo breast tumor xenograft growth.

Chemical Structure

KEA1-97
KEA1-97
CAS#2138882-71-8

Theoretical Analysis

MedKoo Cat#: 562078

Name: KEA1-97

CAS#: 2138882-71-8

Chemical Formula: C15H9Cl2FN4

Exact Mass: 334.0188

Molecular Weight: 335.16

Elemental Analysis: C, 53.75; H, 2.71; Cl, 21.15; F, 5.67; N, 16.72

Price and Availability

Size Price Availability Quantity
25mg USD 250.00 2 Weeks
50mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,250.00 2 Weeks
1g USD 3,250.00 2 Weeks
2g USD 5,450.00 2 Weeks
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Related CAS #
No Data
Synonym
KEA1-97; KEA1 97; KEA197;
IUPAC/Chemical Name
4,6-dichloro-N-(4'-fluoro-[1,1'-biphenyl]-4-yl)-1,3,5-triazin-2-amine
InChi Key
DUROVTLUQOYUPH-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H9Cl2FN4/c16-13-20-14(17)22-15(21-13)19-12-7-3-10(4-8-12)9-1-5-11(18)6-2-9/h1-8H,(H,19,20,21,22)
SMILES Code
ClC1=NC(Cl)=NC(NC2=CC=C(C3=CC=C(F)C=C3)C=C2)=N1
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:
KEA1-97 is a Thioredoxin-Caspase 3 interaction disruptor. It was found to target lysine 72 of thioredoxin, inhibiting its interactions with caspase 3 and inducing apoptosis without affecting other thioredoxin activity. KEA1-97 induced apoptosis in breast cancer cells and treatment of immune-deficient SCID mice at 5 mg/kg ip impaired breast tumor xenograft growth.
In vitro activity:
N/A
In vivo activity:
EA1-97 impairs in vivo breast tumor xenograft growth. This study showcases how the screening of covalent ligands can be coupled with ABPP platforms to identify unique anticancer lead and target pairs. Reference: Anderson KE, To M, Olzmann JA, Nomura DK. Chemoproteomics-Enabled Covalent Ligand Screening Reveals a Thioredoxin-Caspase 3 Interaction Disruptor That Impairs Breast Cancer Pathogenicity. ACS Chem Biol. 2017 Oct 20;12(10):2522-2528. doi: 10.1021/acschembio.7b00711. Epub 2017 Sep 13. PMID: 28892616; PMCID: PMC6205226.
Solvent mg/mL mM
Solubility
Soluble in DMSO 2.0 5.97
Soluble in Water 100.0 298.36
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 335.16 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:
Anderson KE, To M, Olzmann JA, Nomura DK. Chemoproteomics-Enabled Covalent Ligand Screening Reveals a Thioredoxin-Caspase 3 Interaction Disruptor That Impairs Breast Cancer Pathogenicity. ACS Chem Biol. 2017 Oct 20;12(10):2522-2528. doi: 10.1021/acschembio.7b00711. Epub 2017 Sep 13. PMID: 28892616; PMCID: PMC6205226.
In vitro protocol:
N/A
In vivo protocol:
Anderson KE, To M, Olzmann JA, Nomura DK. Chemoproteomics-Enabled Covalent Ligand Screening Reveals a Thioredoxin-Caspase 3 Interaction Disruptor That Impairs Breast Cancer Pathogenicity. ACS Chem Biol. 2017 Oct 20;12(10):2522-2528. doi: 10.1021/acschembio.7b00711. Epub 2017 Sep 13. PMID: 28892616; PMCID: PMC6205226.
1: Anderson KE, To M, Olzmann JA, Nomura DK. Chemoproteomics-Enabled Covalent Ligand Screening Reveals a Thioredoxin-Caspase 3 Interaction Disruptor That Impairs Breast Cancer Pathogenicity. ACS Chem Biol. 2017 Oct 20;12(10):2522-2528. doi: 10.1021/acschembio.7b00711. Epub 2017 Sep 13. PubMed PMID: 28892616.