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Chemical structure of TH-Z93

GC71120

TH-Z93

Also known as [[(4-hexoxy-2-pyridinyl)amino]-phosphonomethyl]phosphonic acid

TH-Z93, a lipophilic bisphosphonate, is a FPPS inhibitor (IC50: 90 nM)

ChemicalCAS2260887-09-8MW368.26FormulaC12H22N2O7P2
CAS number
2260887-09-8
Molecular weight
368.26
Formula
C12H22N2O7P2
Solubility
H2O ： 1·89 mg/mL (5·13 mM; ultrasonic and warming and adjust pH to 10 with NaOH and heat to 60°C)
InChIKey
NXVHNJBPVOSZAP-UHFFFAOYSA-N
Catalogue number
GC71120
Brand
GLPBIO
Computed properties PubChem CID 134817490 · XLogP 0.1 · TPSA 149 Ų · H-bond donors 5
XLogP
0.1
TPSA
149 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
23

SMILES CCCCCCOC1=CC(=NC=C1)NC(P(=O)(O)O)P(=O)(O)O

Computed descriptors from PubChem (CID 134817490), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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