CAS No. 1345098-78-3

Batch: Purity:99.05
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XMD16-5 Chemical Structure
Chemical Structure
Check the XMD16-5 product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name 2-[4-(4-hydroxypiperidin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
CAS Number 1345098-78-3
Molecular Formula

C23H24N6O2
Molecular Weight (MW) 416.48
SMILES CN1C2=CC=CC=C2C(=O)NC3=CN=C(N=C31)NC4=CC=C(C=C4)N5CCC(CC5)O
InChIKey AGLKBEPKKDHHKY-UHFFFAOYSA-N

Biological Activity

XMD16-5 is a potent small-molecule inhibitor of tyrosine kinase nonreceptor 2 (TNK2), targeting both wild-type kinase and oncogenic mutant forms such as D163E and R806Q. Inhibition of TNK2 by XMD16-5 suppresses key downstream oncogenic signaling networks, including the AKT/mTOR and STAT pathways, ultimately impairing cellular proliferation and promoting apoptosis in TNK2-driven cancer cell lines. [1]

How to Prepare Stock Solution?

Concentration Volume Mass
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Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 83 mg/mL (199.28 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol 5 mg/mL
Water Insoluble
FAQ
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).

Reference

[1] Mahajan P, et al. Oncogene. 2015;34(21):2681-9.

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Note: Technical data last updated: Sep 1, 2026.