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Chemical structure of TH1834 dihydrochloride

GC39303

TH1834 dihydrochloride

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

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

ChemicalCAS2108830-09-5MW641.63FormulaC33H42Cl2N6O3
CAS number
2108830-09-5
Molecular weight
641.63
Formula
C33H42Cl2N6O3
Solubility
DMSO： 250 mg/mL (389·63 mM)
InChIKey
HYXIFSOROZPMMU-UHFFFAOYSA-N
Catalogue number
GC39303
Brand
GLPBIO
Computed properties PubChem CID 91826511 · TPSA 96.6 Ų · H-bond donors 3 · H-bond acceptors 8
TPSA
96.6 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
16
Heavy atoms
44

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.Cl.Cl

Computed descriptors from PubChem (CID 91826511), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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