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Naphthyridine carbamate dimer

CAT: 0804-HY-153804-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153804-01Size:5 mg
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Description
Naphthyridine caebamate dimer (NCD) is a DNA molecular glue that induces designed structural changes in target functional DNA to modulate function[1].
CAS Number
864627-58-7
Product Name Alternative
NCD
UNSPSC
12352005
Target
Molecular Glues
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Others; Cancer
Assay Protocol
https://www.medchemexpress.com/naphthyridine-carbamate-dimer.html
Purity
99.68
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(NC1=NC2=C(C=C1)C=CC(C)=N2)OCCCNCCCOC(NC3=NC4=C(C=C3)C=CC(C)=N4)=O
Molecular Formula
C26H29N7O4
Molecular Weight
503.55
References & Citations
[1]Yamada T, et, al. NMR determination of the 2:1 binding complex of naphthyridine carbamate dimer (NCD) and CGG/CGG triad in double-stranded DNA. Nucleic Acids Res. 2022 Sep 23;50 (17) :9621-9631. |[2]Simeth NA, et, al. Rational design of a photoswitchable DNA glue enabling high regulatory function and supramolecular chirality transfer. Chem Sci. 2021 May 27;12 (26) :9207-9220.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Naphthyridine Carbamate Dimer
CAS Number864627-58-7
PubChem CID11591482
IUPAC Name3-[3-[(7-methyl-1,8-naphthyridin-2-yl)carbamoyloxy]propylamino]propyl N-(7-methyl-1,8-naphthyridin-2-yl)carbamate
Molecular FormulaC26H29N7O4
Molecular Weight503.6
XLogP3.6
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity671
SMILES
CC1=NC2=C(C=C1)C=CC(=N2)NC(=O)OCCCNCCCOC(=O)NC3=NC4=C(C=CC(=N4)C)C=C3
InChI
InChI=1S/C26H29N7O4/c1-17-5-7-19-9-11-21(30-23(19)28-17)32-25(34)36-15-3-13-27-14-4-16-37-26(35)33-22-12-10-20-8-6-18(2)29-24(20)31-22/h5-12,27H,3-4,13-16H2,1-2H3,(H,28,30,32,34)(H,29,31,33,35)
InChIKey
RLXLNYXAIXVZCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Naphthyridine Carbamate Dimer
CAS: 864627-58-7
CID: 11591482
Formula: C26H29N7O4
MW: 503.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.6
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass503.22810243
Monoisotopic Mass503.22810243
Topological Polar Surface Area140 Ų
Heavy Atom Count37
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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