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Chemical structure of CH1055

GC64596

CH1055

Also known as 3-[4-[4-(2-carboxyethyl)-N-[4-[8-[4-[4-(2-carboxyethyl)-N-[4-(2-carboxyethyl)phenyl]anilino]phenyl]-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]phenyl]anilino]phenyl]propanoic acid

CH1055 is a NIR-II fluorophore based on a synthetic 970-Da organic molecule· CH1055 is a rapidly excreted dye (?90% excreted through the kidneys within 24 h)· CH1055 also allows targeted molecular imaging of tumors in vivo when conjugated with anti-EGFR Affibody

ChemicalCAS1622250-38-7MW969.09FormulaC54H44N6O8S2
CAS number
1622250-38-7
Molecular weight
969.09
Formula
C54H44N6O8S2
InChIKey
LTJDYGCWCCRPBZ-UHFFFAOYSA-N
Catalogue number
GC64596
Brand
GLPBIO
Computed properties PubChem CID 122501700 · XLogP 11.6 · TPSA 235 Ų · H-bond donors 4
XLogP
11.6
TPSA
235 Ų
H-bond donors
4
H-bond acceptors
16
Rotatable bonds
20
Heavy atoms
70

SMILES C1=CC(=CC=C1CCC(=O)O)N(C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C4=C5C(=C(C6=NSN=C46)C7=CC=C(C=C7)N(C8=CC=C(C=C8)CCC(=O)O)C9=CC=C(C=C9)CCC(=O)O)N=S=N5

Computed descriptors from PubChem (CID 122501700), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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