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Chemical structure of SG2057

GC69882

SG2057

Also known as (6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one

SG2057 (DRG16) is a PBD dimer containing a pentadiene bond, which selectively binds to sequences in the minor groove of DNA, forming inter- and intra-strand crosslink adducts· SG2057 is an effective anti-tumor agent

ChemicalCAS260417-62-7MW584.66FormulaC33H36N4O6
CAS number
260417-62-7
Molecular weight
584.66
Formula
C33H36N4O6
Solubility
DMSO ： 100 mg/mL (171·04 mM; Need ultrasonic)
InChIKey
KYNCKSRRIFFPJS-GOTSBHOMSA-N
Catalogue number
GC69882
Brand
GLPBIO
Computed properties PubChem CID 9938287 · XLogP 2.7 · TPSA 102 Ų · H-bond donors 0
XLogP
2.7
TPSA
102 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
43

SMILES COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C=N2)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=C)CN6C5=O)OC

Computed descriptors from PubChem (CID 9938287), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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