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MedKoo Cat#: 129093 | Name: TNI-97

Description:

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

TNI-97 as a Highly Selective, Orally Bioavailable HDAC6 Inhibitor for the Treatment of Triple-Negative Breast Cancer. TNI-97 demonstrated potent HDAC6 inhibitory activity and great isoform selectivity. TNI-97 elicited PANoptotic cell death in MDA-MB-453 cell models in vitro and in vivo. TNI-97 exhibited a TGI of 91% in MDA-MB-453 CDX as monotherapy and a TGI of 92% in 4T1 CDA when combined with paclitaxel.

Chemical Structure

TNI-97
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 129093

Name: TNI-97

CAS#: N/A

Chemical Formula: C19H15F3N6O2

Exact Mass: 416.1209

Molecular Weight: 416.36

Elemental Analysis: C, 54.81; H, 3.63; F, 13.69; N, 20.18; O, 7.69

Price and Availability

Related CAS #
No Data
Synonym
TNI-97; TNI 97; TNI97
IUPAC/Chemical Name
N-hydroxy-4-((3-(1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)benzamide
InChi Key
UOVFUVPAQUCHSN-UHFFFAOYSA-N
InChi Code
InChI=1S/C19H15F3N6O2/c1-27-16-7-6-13(8-15(16)23-26-27)14-9-17(19(20,21)22)28(24-14)10-11-2-4-12(5-3-11)18(29)25-30/h2-9,30H,10H2,1H3,(H,25,29)
SMILES Code
CN1N=NC2=C1C=CC(C3=NN(CC4=CC=C(C(NO)=O)C=C4)C(C(F)(F)F)=C3)=C2
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 416.36 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:
In vitro protocol:
In vivo protocol:

Wang S, Luo M, Xu Q, Guo R, Zhang W, Li B, Qin H, Wei L, Cui Y, Sha J, Shao S, Yu X, Zhao L, Sun P, Bai C, Wen J, Liu D. Discovery of TNI-97 as a Highly Selective, Orally Bioavailable HDAC6 Inhibitor for the Treatment of Triple-Negative Breast Cancer. J Med Chem. 2025 Jul 3. doi: 10.1021/acs.jmedchem.5c00278. Epub ahead of print. PMID: 40607730.