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CAS 563-80-4

2-Acetylpropane

Codes: (II)819152-1-a

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: 4total yield: /
4-Hydrazinobenzenesulfonic acid→2-Acetylpropane→Potassium 2,3,3-trimethyl-3H-indole-5-sulfonate→2,3,3-Trimethyl-3H-indole-5-sulfonic acid→3-Bromo-N,N,N-trimethylpropan-1-aminium bromide→2,3,3-Trimethyl-5-sulfo-1-[3-(trimethylazaniumyl)propyl]-3H-indol-1-ium dibromide→4-Cyclohexanone→[3-(Anilinomethylidene)-2-chlorocyclohex-1-en-1-yl]-N-phenylmethaniminium chloride→2-[2-[2-Chloro-3-[2-[3,3-dimethyl-5-sulfonato-1-[3-(trimethylazaniumyl)propyl]-1,3-dihydro-2H-indol-2-ylidene]ethylidene]cyclohex-1-en-1-yl]ethenyl]-3,3-dimethyl-1-[3-(trimethylazaniumyl)propyl]-3H-indol-1-ium-5-sulfonate sodium bromide (1/2/3)→Disodium 3-(4-oxidophenyl)propanoate→3-(4-Hydroxyphenyl)propionic 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

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