Products 1628423-76-6

CAS 1628423-76-6 appears in our catalog under these names: Pafolacianine, Pafolacianine, 99.04%, 2-[2-(2-{4-[(2S)-2-(4-{[(2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)-2-carboxyethyl]phenoxy}-3-{2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl)ethenyl]-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-3H-indolium inner salt. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 1mg, 10 mg, 100 mg, 25 mg, 1 mg, 50 mg, 5 mg.

Pafolacianine
GLPBio
  • size: 1mg
  • Variants: 1
from 3924.88
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Pafolacianine, 99.04%
MedChemExpress
  • size: 10 mg, 100 mg, 25 mg, 1 mg
  • Variants: 6
from 2808.88
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2-[2-(2-{4-[(2S)-2-(4-{[(2-Amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)-2-carboxyethyl]phenoxy}-3-{2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl)ethenyl]-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-3H-indolium inner salt
Chemat
  • size: 1mg
  • Variants: 1
from 3213.20
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Structural formula: {0} (CAS {1})

2-[(E)-2-[(3E)-2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-2-carboxyethyl]phenoxy]-3-[(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-5-sulfonate (CAS 1628423-76-6) is a chemical compound with the molecular formula C61H67N9O17S4 and a molecular weight of 1326.5 g/mol. IUPAC name: 2-[(E)-2-[(3E)-2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-2-carboxyethyl]phenoxy]-3-[(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-5-sulfonate. InChIKey: PDXNSXLPXJFETD-DYVQZXGMSA-N.

Identity
Molecular formulaC61H67N9O17S4
Molecular weight1326.5 g/mol
IUPAC name2-[(E)-2-[(3E)-2-[4-[(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-2-carboxyethyl]phenoxy]-3-[(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-5-sulfonate
InChIKeyPDXNSXLPXJFETD-DYVQZXGMSA-N
SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)O)C=CC(=C5)S(=O)(=O)O)(C)C)/CCC3)OC6=CC=C(C=C6)C[C@@H](C(=O)O)NC(=O)C7=CC=C(C=C7)NCC8=CN=C9C(=N8)C(=O)NC(=N9)N)CCCCS(=O)(=O)O)C

Computed by PubChem (NCBI)

Synonyms: Pafolacianine, otl-38, Fluorescent Imaging Ligand OTL38, Pafolacianine [USAN]