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Chemical structure of Bizelesin

GC74854

Bizelesin

Also known as 1,3-bis[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea

Bizelesin (NSC 615291; U-77779) is an AT-specific DNA alkylating agent that can generate DNA interstrand crosslinks, effectively inhibit DNA replication, and has potential anticancer activity

ChemicalCAS129655-21-6MW815.7FormulaC43H36Cl2N8O5
CAS number
129655-21-6
Molecular weight
815.7
Formula
C43H36Cl2N8O5
Solubility
DMSO： 100 mg/mL (122·59 mM; Need ultrasonic)
InChIKey
FONKWHRXTPJODV-DNQXCXABSA-N
Catalogue number
GC74854
Brand
GLPBIO
Computed properties PubChem CID 60794 · XLogP 6.5 · TPSA 185 Ų · H-bond donors 8
XLogP
6.5
TPSA
185 Ų
H-bond donors
8
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
58

SMILES CC1=CNC2=C(C=C3C(=C12)[C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8C[C@H](C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)O

Computed descriptors from PubChem (CID 60794), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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