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NODAGA-NHS

CAT: 0804-HY-156991-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156991-01Size:5 mg
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Description
NODAGA-NHS (NODA-GA-NHS ester) is a [64]Cu chelator and the dissociated form of DOTA-trastuzumab in vivo. NODAGA-NHS was added in 0.1 M borate buffer at a ratio of 5/20/100 and was able to effectively bind trastuzumab (10 mg/mL) (4°C, 20 h) . The copper content of the [64]Cu-NODAGA-trastuzumab was up to 80%. After blood was drawn from the caudal vein of mice, [64]Cu-NODAGA-trastuzumab was injected and showed good tumor uptake in mice expressing HER2 tumors, showing good PET imaging tracking ability.
CAS Number
1407166-70-4
Product Name Alternative
NODA-GA-NHS ester
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
EGFR; Radionuclide-Drug Conjugates (RDCs)
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related; JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nodaga-nhs.html
Smiles
OC(C(N(CCN1CC(O)=O)CCN(CC1)CC(O)=O)CCC(ON(C2=O)C(CC2)=O)=O)=O
Molecular Formula
C19H28N4O10
Molecular Weight
472.45
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
RDC Bifunctional Chelator

Chemical Information

Nodaga-nhs
CAS Number1407166-70-4
PubChem CID118245608
IUPAC Name2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid
Molecular FormulaC19H28N4O10
Molecular Weight472.4
XLogP-8.6
Topological Polar Surface Area185
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity745
SMILES
C1CC(=O)N(C1=O)OC(=O)CCC(C(=O)O)N2CCN(CCN(CC2)CC(=O)O)CC(=O)O
InChI
InChI=1S/C19H28N4O10/c24-14-2-3-15(25)23(14)33-18(30)4-1-13(19(31)32)22-9-7-20(11-16(26)27)5-6-21(8-10-22)12-17(28)29/h13H,1-12H2,(H,26,27)(H,28,29)(H,31,32)
InChIKey
KHYQZCZUWQXKHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nodaga-nhs
CAS: 1407166-70-4
CID: 118245608
Formula: C19H28N4O10
MW: 472.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.4
XLogP3-8.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass472.18054310
Monoisotopic Mass472.18054310
Topological Polar Surface Area185 Ų
Heavy Atom Count33
Formal Charge0
Complexity745
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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