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| CAS No.: | 274693-27-5 |
|---|---|
| Name: | Ticagrelor |
| Molecular Structure: | |
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| 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 |
|---|---|
| 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 |
|---|---|
| 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 |
|---|---|
| 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 |
|---|---|
| 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