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Macropa

CAT: 0804-HY-160131-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-160131-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1128304-86-8
UNSPSC Description
Macropa is a macrocyclic chelator that can be used as radionuclides to study soft tissue metastases[1].
Target Antigen
Others
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/macropa.html
Solubility
DMSO : 125 mg/mL (ultrasonic)|H2O : 125 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=CC(CN2CCOCCOCCN(CCOCCOCC2)CC3=NC(C(O)=O)=CC=C3)=N1)O
Molecular Weight
532.59
References & Citations
[1]Blei MK, et al. Equilibrium Thermodynamics of Macropa Complexes with Selected Metal Isotopes of Radiopharmaceutical Interest. Inorg Chem. 2023 Dec 18;62(50):20699-20709.
Shipping Conditions
Blue Ice
Clinical Information
No Development Reported

Chemical Information

Macropa
CAS Number1128304-86-8
PubChem CID57329142
IUPAC Name6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
Molecular FormulaC26H36N4O8
Molecular Weight532.6
XLogP-4.4
Topological Polar Surface Area144
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity612
SMILES
C1COCCOCCN(CCOCCOCCN1CC2=NC(=CC=C2)C(=O)O)CC3=NC(=CC=C3)C(=O)O
InChI
InChI=1S/C26H36N4O8/c31-25(32)23-5-1-3-21(27-23)19-29-7-11-35-15-17-37-13-9-30(10-14-38-18-16-36-12-8-29)20-22-4-2-6-24(28-22)26(33)34/h1-6H,7-20H2,(H,31,32)(H,33,34)
InChIKey
AHJIXPVAMVLFOG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Macropa
CAS: 1128304-86-8
CID: 57329142
Formula: C26H36N4O8
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
XLogP3-4.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass532.25331412
Monoisotopic Mass532.25331412
Topological Polar Surface Area144 Ų
Heavy Atom Count38
Formal Charge0
Complexity612
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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