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Bisnafide

CAT: 0013-GTR19199441-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199441-03Size:100 mg
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Description
Bisnafide is a naphthalimide-based small molecule that functions as a DNA intercalator and topoisomerase II inhibitor. Its antiangiogenic properties can normalize tumor vasculature, enhancing the delivery of chemotherapeutic agents in both in vitro and in vivo cancer research models.
CAS Number
144849-63-8
Smiles
O=C1C=2C=3C (C (=O) N1[C@@H] (CNCCNC[C@@H] (C) N4C (=O) C=5C=6C (C4=O) =CC=CC6C=C (N (=O) =O) C5) C) =CC=CC3C=C (N (=O) =O) C2
Molecular Formula
C32H28N6O8
Molecular Weight
624.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bisnafide

Bisnafide is a small molecule drug. Bisnafide has a monoisotopic molecular weight of 624.2 Da.

CAS Number144849-63-8
PubChem CID60917
IUPAC Name5-nitro-2-[(2R)-1-[2-[[(2R)-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione
Molecular FormulaC32H28N6O8
Molecular Weight624.6
XLogP3.7
Topological Polar Surface Area190
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count46
Formal Charge0
Complexity1160
SMILES
C[C@H](CNCCNC[C@@H](C)N1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])N4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-]
InChI
InChI=1S/C32H28N6O8/c1-17(35-29(39)23-7-3-5-19-11-21(37(43)44)13-25(27(19)23)31(35)41)15-33-9-10-34-16-18(2)36-30(40)24-8-4-6-20-12-22(38(45)46)14-26(28(20)24)32(36)42/h3-8,11-14,17-18,33-34H,9-10,15-16H2,1-2H3/t17-,18-/m1/s1
InChIKey
PXBZKHOQHTVCSQ-QZTJIDSGSA-N
Chemical Structure
2D Structure
2D structure of Bisnafide
CAS: 144849-63-8
CID: 60917
Formula: C32H28N6O8
MW: 624.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass624.19686187
Monoisotopic Mass624.19686187
Topological Polar Surface Area190 Ų
Heavy Atom Count46
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T25159-01Bisnafide
T70609-01Bisnafide mesylate
HY-106921ABisnafide (mesylate)

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