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1035979-44-2

Basic Information
CAS No.: 1035979-44-2
Name: (4S,4aS,5aR,12aS)-4-(DiMethylaMino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-7-[(MethoxyMethylaMino)Methyl]-1,11-dioxo-2-naphthacenecarboxaMide hydrochloride
Article Data: 3
Molecular Structure:
Molecular Structure of 1035979-44-2 ((4S,4aS,5aR,12aS)-4-(DiMethylaMino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-7-[(MethoxyMethylaMino)Methyl]-1,11-dioxo-2-naphthacenecarboxaMide hydrochloride)
Formula: C24H30ClN3O8
Molecular Weight: 523.971
Synonyms: (4S,4aS,5aR,12aS)-4-(DiMethylaMino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-7-[(MethoxyMethylaMino)Methyl]-1,11-dioxo-2-naphthacenecarboxaMide hydrochloride;P005672 HCl;P005672 (hydrochloride);Sarecycline (hydrochloride);Sarecycline
PSA: 174.85000
LogP: 1.90890
Synthetic route
1035978-85-8

C2HF3O2*C24H29N3O8

1035979-44-2

(4S,4aS,5aR,12aS)-4-dimethylamino-3,10,12,12a-tetrahydroxy-7-[(methoxy(methyl)amino)-methyl]-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide mono hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol
1035654-66-0

(4S,4aS,5aR,12aS)-4-dimethylamino-3,10,12,12a-tetrahydroxy-7-[(methoxy(methyl)amino)-methyl]-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide

1035979-44-2

(4S,4aS,5aR,12aS)-4-dimethylamino-3,10,12,12a-tetrahydroxy-7-[(methoxy(methyl)amino)-methyl]-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide mono hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 5℃; pH=1.3 - 1.6;
With hydrogenchloride In ethanol pH=1.3 - 1.6;
1035655-10-7

7-formylsancycline

1035979-44-2

(4S,4aS,5aR,12aS)-4-dimethylamino-3,10,12,12a-tetrahydroxy-7-[(methoxy(methyl)amino)-methyl]-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide mono hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium cyanoborohydride / N,N-dimethyl acetamide / 0.25 h / 20 °C / Inert atmosphere
2: hydrogenchloride / ethanol; water / 5 °C / pH 1.3 - 1.6
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