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Chemical structure of SOP1812

GC65887

SOP1812

Also known as 14-hydroxy-6,13-bis(3-morpholin-4-ylpropyl)-10-(2-pyrrolidin-1-ylethylimino)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),8,11(15)-pentaene-5,7,12-trione

SOP1812 is a naphthalene diimide (ND) derivative with anti-tumor activity· SOP1812 binds to quadruplex arrangements (G4s), and down-regulates several cancer gene pathways· SOP1812 shows great affinity to hTERT G4 and HuTel21 G4 with KD values of 4·9 and 28·4 nM, respectively· SOP1812 can be used for the research of cancer

ChemicalCAS2546091-70-5MW791.98FormulaC45H57N7O6
CAS number
2546091-70-5
Molecular weight
791.98
Formula
C45H57N7O6
InChIKey
TZQVPFRBHPQZNM-UHFFFAOYSA-N
Catalogue number
GC65887
Brand
GLPBIO
Computed properties PubChem CID 155318440 · XLogP 1 · TPSA 122 Ų · H-bond donors 1
XLogP
1
TPSA
122 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
14
Heavy atoms
58

SMILES C1CCN(C1)CCN=C2C=C3C4=C(C(=CC5=C(N(C(=O)C2=C54)CCCN6CCOCC6)O)C7=CC=C(C=C7)CN8CCCC8)C(=O)N(C3=O)CCCN9CCOCC9

Computed descriptors from PubChem (CID 155318440), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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