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CAS 217099-14-4

Cyclo(L-arginylglycyl-L-alpha-aspartyl-D-tyrosyl-L-lysyl)

Codes: (XIII)819152-1-b,(XIII)819152-1-d

Application context (from source-drug indications)

Head and neck squamous cell carcinomacRGD-ZW800-1CholangiocarcinomacRGD-ZW800-1Pancreatic cancercRGD-ZW800-1

Source drugs (routes using this intermediate)

DrugTierExpiry
cRGD-ZW800-1Tier C — Watch / trade-

Position in synthesis routes (up/downstream chain)

Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.

cRGD-ZW800-1Optimised routesteps: 2total yield: /
2,3,3-Trimethyl-3H-indole-5-sulfonic acid→3-[4-[[6-[2-[3,3-dimethyl-5-sulfonato-1-[3-(trimethylazaniumyl)propyl]-1,3-dihydro-2H-indol-2-ylidene]ethylidene]-2-[2-[3,3-dimethyl-5-sulfonato-1-[3-(trimethylazaniumyl)propyl]-3H-indol-1-ium-2-yl]ethenyl]cyclohex-1-en-1-yl]oxy]phenyl]propanoate trifluoroacetic acid→2-[2-[3-[2-[3,3-Dimethyl-5-sulfonato-1-[3-(trimethylazaniumyl)propyl]-1,3-dihydro-2H-indol-2-ylidene]ethylidene]-2-(4-[3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl]phenoxy)cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-[3-(trimethylazaniumyl)propyl]-3H-indol-1-ium-5-sulfonate sodium bromide (1/2/2)→Cyclo(L-arginylglycyl-L-alpha-aspartyl-D-tyrosyl-L-lysyl)
cRGD-ZW800-1Optimised routesteps: 3total yield: /
Cyclo(L-arginylglycyl-L-alpha-aspartyl-D-tyrosyl-L-lysyl)→Resin bound (5S,8S,11R,14S)-14-amino-8-[4-[(tert-butoxycarbonyl)amino]butyl]-11-[(4-tert-butoxyphenyl)methyl]-18,18-dimethyl-4,7,10,13,16-pentaoxo-5-[3-[N'-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonyl)carbamimidamido]propyl]-6,17-dioxa-3,9,12-triazanonadecan-1-oic acid→(5S,8S,11R,14S)-14-Amino-8-[4-[(tert-butoxycarbonyl)amino]butyl]-11-[(4-tert-butoxyphenyl)methyl]-18,18-dimethyl-4,7,10,13,16-pentaoxo-5-[3-[N'-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonyl)carbamimidamido]propyl]-6,17-dioxa-3,9,12-triazanonadecan-1-oic acid→tert-Butyl [(2S,5R,8S,11S)-8-[4-[(tert-butoxycarbonyl)amino]butyl]-5-[(4-tert-butoxyphenyl)methyl]-3,6,9,12,15-pentaoxo-11-[3-[N'-(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-sulfonyl)carbamimidamido]propyl]-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetate

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