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NH2-NODAGA

CAT: 0804-HY-164575Size: 1 EachDry Ice: NoHazardous: No
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Description
NH2-NODAGA is a NODAGA-type metal chelator that can bind to radionuclides to prepare radionuclide conjugates (RDCs) . NH2-NODAGA can react with diethyl squarate in 0.5M phosphate buffer (room temperature, 2 h, pH 7-7.5) to obtain NODAGA.SA. NODAGA.SA can target L-lysine urea-L-glutamate (KuE), which is a key structure of prostate-specific membrane antigen (PSMA) . NODAGA.SA.KuE can bind [68]Ga and can be used for PET examination of NMRInu/nu nude mice bearing LNCaP tumors.
CAS Number
1630114-57-6
UNSPSC
12352203
Target
PSMA; Radionuclide-Drug Conjugates (RDCs)
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related; Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nh2-nodaga.html
Smiles
O=C(CN1CCN(CCN(C(CCC(NCCN)=O)C(O)=O)CC1)CC(O)=O)O
Molecular Formula
C17H31N5O7
Molecular Weight
417.46
Shipping Conditions
Room temperature
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
RDC Bifunctional Chelator

Chemical Information

NH2-Noda-GA
CAS Number1630114-57-6
PubChem CID138376281
IUPAC Name5-(2-aminoethylamino)-2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-oxopentanoic acid
Molecular FormulaC17H31N5O7
Molecular Weight417.5
XLogP-9.2
Topological Polar Surface Area177
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity546
SMILES
C1CN(CCN(CCN1CC(=O)O)C(CCC(=O)NCCN)C(=O)O)CC(=O)O
InChI
InChI=1S/C17H31N5O7/c18-3-4-19-14(23)2-1-13(17(28)29)22-9-7-20(11-15(24)25)5-6-21(8-10-22)12-16(26)27/h13H,1-12,18H2,(H,19,23)(H,24,25)(H,26,27)(H,28,29)
InChIKey
DTPTWBYXQVMEMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NH2-Noda-GA
CAS: 1630114-57-6
CID: 138376281
Formula: C17H31N5O7
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP3-9.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass417.22234834
Monoisotopic Mass417.22234834
Topological Polar Surface Area177 Ų
Heavy Atom Count29
Formal Charge0
Complexity546
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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