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CAS 13614-98-7

(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride

Codes:OMAD-004

Application context (from source-drug indications)

皮肤和皮肤结构感染甲苯磺酸奥马环素社区获得性细菌肺炎甲苯磺酸奥马环素细菌感染甲苯磺酸奥马环素细菌性肺炎甲苯磺酸奥马环素细菌性皮肤疾病甲苯磺酸奥马环素

Source drugs (routes using this intermediate)

DrugTierExpiry
甲苯磺酸奥马环素Omadacycline tosylateTier C — Watch / trade2030

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.

甲苯磺酸奥马环素优化路线steps: 3total yield: /
(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride→2-(hydroxymethyl)isoindoline-1,3-dione→OMAD-006a→(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-N,9-bis((1,3-dioxoisoindolin-2-yl)methyl)-10-((1,3-dioxoisoindolin-2-yl)oxy)-3,12,12a-trihydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide→N1,N2-dimethylphthalamide→OMAD-008a→OMAD-008b→pivalaldehyde
甲苯磺酸奥马环素优化路线steps: 5total yield: /
2,2-dimethylpropan-1-amine→(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride→1,3,5-trineopentyl-1,3,5-triazinane→2-chloroacetic anhydride→(2-chloro-N-neopentylacetamido)methyl 2-chloroacetate→(4S,4aS,5aR,12aS)-9-((2-chloro-N-neopentylacetamido)methyl)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-N-(hydroxymethyl)-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide→(4aS,5aR,12aS)-9-((2-chloro-N-neopentylacetamido)methyl)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

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