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Macropa-NH2

CAT: 0931-T11938L-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T11938L-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2146095-13-6
Target
Others
Related Pathways
Others
Purity
0.9937
Bioactivity
Macropa-NH2 is a bifunctional analog of macropa, a carrier molecule that is often coupled to antibodies and is often used as a chelator in cancer research.
Smiles
O=C(O)C=1N=C(C=CC1)CN2CCOCCOCCN(CC3=NC(=CC(N)=C3)C(=O)O)CCOCCOCC2
Molecular Formula
C26H37N5O8
Molecular Weight
547.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Macropa-NH2
CAS Number2146095-13-6
PubChem CID135349131
IUPAC Name4-amino-6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
Molecular FormulaC26H37N5O8
Molecular Weight547.6
XLogP-5.1
Topological Polar Surface Area170
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity700
SMILES
C1COCCOCCN(CCOCCOCCN1CC2=NC(=CC=C2)C(=O)O)CC3=NC(=CC(=C3)N)C(=O)O
InChI
InChI=1S/C26H37N5O8/c27-20-16-22(29-24(17-20)26(34)35)19-31-6-10-38-14-12-36-8-4-30(5-9-37-13-15-39-11-7-31)18-21-2-1-3-23(28-21)25(32)33/h1-3,16-17H,4-15,18-19H2,(H2,27,29)(H,32,33)(H,34,35)
InChIKey
WABTUXPZUNQNCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Macropa-NH2
CAS: 2146095-13-6
CID: 135349131
Formula: C26H37N5O8
MW: 547.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.6
XLogP3-5.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass547.26421316
Monoisotopic Mass547.26421316
Topological Polar Surface Area170 Ų
Heavy Atom Count39
Formal Charge0
Complexity700
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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