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360A iodide

CAT: 0607-A3120-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3120-50Size:50 mg
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Description
G-quadruplex structures inhibitor
CAS Number
737763-37-0
Product Name Alternative
(3Z,3'Z)-3,3'-((pyridine-2,6-dicarbonyl)bis(azanylylidene))bis(1-methyl-2,3-dihydroquinolin-1-ium-2-ide) dihydroiodide
Sequence
360 A iodide
Field of Research
Cell Cycle Checkpoint G-quadruplex
Purity
0.9856
Solubility
insoluble in H2O; insoluble in EtOH; insoluble in DMSO
Smiles
CN1=C2C=CC=CC2=C/C(C=1)=N/C(C3=NC(C(/N=C4C=C5C=CC=CC5=N(C)=C/4)=O)=CC=C3)=O.I.I
Molecular Formula
C27H23I2N5O2
Molecular Weight
703.31
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

360A iodide
CAS Number737763-37-0
PubChem CID78357792
IUPAC Name2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide diiodide
Molecular FormulaC27H23I2N5O2
Molecular Weight703.3
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count36
Formal Charge0
Complexity674
SMILES
C[N+]1=CC(=CC2=CC=CC=C21)NC(=O)C3=NC(=CC=C3)C(=O)NC4=CC5=CC=CC=C5[N+](=C4)C.[I-].[I-]
InChI
InChI=1S/C27H21N5O2.2HI/c1-31-16-20(14-18-8-3-5-12-24(18)31)28-26(33)22-10-7-11-23(30-22)27(34)29-21-15-19-9-4-6-13-25(19)32(2)17-21;;/h3-17H,1-2H3;2*1H
InChIKey
CYDYPTJPHHNFEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 360A iodide
CAS: 737763-37-0
CID: 78357792
Formula: C27H23I2N5O2
MW: 703.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight703.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass702.99412
Monoisotopic Mass702.99412
Topological Polar Surface Area78.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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