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Chemical structure of XMD8-87

GC19387

XMD8-87

Also known as 2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one

XMD8-87 is a potent TNK2 inhibitor with IC50 values of 38 and 113 nM for the D163E and R806Q mutations, respectively

ChemicalCAS1234480-46-6MW445.52FormulaC24H27N7O2
CAS number
1234480-46-6
Molecular weight
445.52
Formula
C24H27N7O2
Solubility
DMSO ： ≥ 26 mg/mL (58·36 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
LGLHCXISMKHLIK-UHFFFAOYSA-N
Catalogue number
GC19387
Brand
GLPBIO
Computed properties PubChem CID 53322923 · XLogP 2.9 · TPSA 85.9 Ų · H-bond donors 2
XLogP
2.9
TPSA
85.9 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
33

SMILES CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4)C)OC

Computed descriptors from PubChem (CID 53322923), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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