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CAS No.: | 274693-27-5 |
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Name: | Ticagrelor |
Article Data: | 62 |
Molecular Structure: | |
Formula: | C23H28F2N6O4S |
Molecular Weight: | 522.576 |
Synonyms: | AR-C126532XX;AZD 6140;1,2-Cyclopentanediol,3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-,(1S,2S,3R,5S)-; |
EINECS: | 619-540-9 |
Density: | 1.676 g/cm3 |
Boiling Point: | 777.551 °C at 760 mmHg |
Flash Point: | 424.048 °C |
Appearance: | white powder |
Safety: | 24/25 |
PSA: | 163.74000 |
LogP: | 2.08670 |
[3aR-[3aα,4α,6α,(1R,2S),6aα]]-2-[6-[[[7-(2-(3,4-difluorophenyl)cyclopropyl)]amino-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenteno-1,3-dioxolan-4-yl]oxy]ethanol
ticagrelor
Conditions | Yield |
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With hydrogenchloride In methanol at -3 - 20℃; for 3h; Large scale; | 97.1% |
With hydrogenchloride In methanol at 0 - 10℃; for 2h; Temperature; Large scale; | 95% |
With hydrogenchloride In water; ethyl acetate | 94.1% |
ticagrelor
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water at 0 - 20℃; for 4.5h; | 97% |
With hydrogenchloride In methanol; water at 15 - 25℃; for 3h; | 86% |
9-[(1’R,2’S,3’S,4’S)-2’,3’-dihydroxyl-4'-hydroxyethoxycyclopenta-1'-yl]-9H-2-thiopropyl-6-chloro-8-azepine
ticagrelor
Conditions | Yield |
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With triethylamine In tetrahydrofuran at 20℃; for 2h; | 96% |
With triethylamine In tetrahydrofuran at 20℃; for 2h; | 96% |
9-[(1’R,2’S,3’S,4’S)-2’,3’-dihydroxyl-4'-hydroxyethoxycyclopenta-1'-yl]-9H-2-thiopropyl-6-chloro-8-azepine
ticagrelor
Conditions | Yield |
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With N-ethyl-N,N-diisopropylamine In acetonitrile at 25 - 35℃; Product distribution / selectivity; | 95.5% |
ticagrelor
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol under 3000.3 Torr; for 2h; | 95.2% |
9-[(1’R,2’S,3’S,4’S)-2’,3’-dihydroxyl-4'-hydroxyethoxycyclopenta-1'-yl]-9H-2-thiopropyl-6-chloro-8-azepine
ticagrelor
Conditions | Yield |
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With potassium carbonate In tetrahydrofuran at 20℃; for 24h; | 95% |
(4-{7-[2-(3,4-difluorophenyl)cyclopropylamino]-5-propylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}-2,3-dihydroxycyclopentyloxy)acetic acid ethyl ester
ticagrelor
Conditions | Yield |
---|---|
With sodium tetrahydroborate In water at 20℃; for 3h; Time; | 93.8% |
With sodium tetrahydroborate In diethylene glycol dimethyl ether at 50 - 60℃; for 3h; Large scale; | 0.5 kg |
9-[(1’R,2’S,3’S,4’S)-2’,3’-dihydroxyl-4'-hydroxyethoxycyclopenta-1'-yl]-9H-2-thiopropyl-6-chloro-8-azepine
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine mandelate
ticagrelor
Conditions | Yield |
---|---|
With sodium carbonate In acetonitrile at 20℃; for 20h; | 93% |
With sodium carbonate In acetonitrile at 20℃; for 20h; | 93% |
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 5 - 20℃; for 5h; | 80.24% |
Stage #1: (1R,2S)-2-(3,4-difluorophenyl)cyclopropanammonium mandelate With N-ethyl-N,N-diisopropylamine; sodium hydroxide In water; ethyl acetate at 15 - 20℃; Stage #2: 9-[(1’R,2’S,3’S,4’S)-2’,3’-dihydroxyl-4'-hydroxyethoxycyclopenta-1'-yl]-9H-2-thiopropyl-6-chloro-8-azepine With N-ethyl-N,N-diisopropylamine In ethyl acetate at 20℃; for 1h; | 67% |
ticagrelor
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water at 15 - 25℃; for 3h; | 93% |
ticagrelor
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water at 55℃; Temperature; | 92% |
Molecular Structure of Ticagrelor (CAS NO.274693-27-5):
Molecular Formula: C23H28F2N6O4S
Molecular Weight: 522.57
IUPAC Name: (1S,2S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Synonyms of Ticagrelor (CAS NO.274693-27-5): (1S,2S,3R,5S)-3-(7-((1R,2S)-2-(3,4-Difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-(1,2,3)triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol ; AR-C126532XX ; AZD6140 ; Brilinta ; UNII-GLH0314RVC ; 1,2-Cyclopentanediol, 3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-1,2,3-triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-
CAS NO: 274693-27-5
Product Categories: Prevention of thromboembolic events in patients with acute coronary syndrome
Density of Ticagrelor (CAS NO.274693-27-5): 1.67