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Chemical structure of TH1834

GC60359

TH1834

Also known as 2-[5-[4-[[2-phenylethyl-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]butyl]amino]methyl]phenyl]tetrazol-2-yl]acetic acid

TH1834 is a specific Tip60 (KAT5) histone acetyltransferase (HAT) inhibitor· TH1834 induces apoptosis and increases DNA damage in breast cancer· TH1834 does not affect the activity of related histone acetyltransferase MOF· Anticancer activity

ChemicalCAS2108830-08-4MW568.71FormulaC33H40N6O3
CAS number
2108830-08-4
Molecular weight
568.71
Formula
C33H40N6O3
Solubility
Methanol: 5 mg/mL (8·79 mM); DMSO: 5 mg/mL (8·79 mM)
InChIKey
XERATECPNBWJFP-UHFFFAOYSA-N
Catalogue number
GC60359
Brand
GLPBIO
Computed properties PubChem CID 91826512 · XLogP 3.7 · TPSA 96.6 Ų · H-bond donors 1
XLogP
3.7
TPSA
96.6 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
16
Heavy atoms
42

SMILES C1CCN(C1)CC2=CC=C(C=C2)OCCCCN(CCC3=CC=CC=C3)CC4=CC=C(C=C4)C5=NN(N=N5)CC(=O)O

Computed descriptors from PubChem (CID 91826512), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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