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CAS No.: | 1341224-83-6 |
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Name: | INCB8761(PF-4136309) |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C29H31F3N6O3 |
Molecular Weight: | 568.599 |
Synonyms: | INCB 8761(PF-4136309);(S)-N-(2-(3-((4-hydroxy-4-(5-(pyrimidin-2-yl)pyridin-2-yl)cyclohexyl)amino)pyrrolidin-1-yl)-2-oxoethyl)-3-(trifluoromethyl)benzamide;(S)-N-[2-(3-{trans-4-hydroxy-4-[5-(pyrimidin-2-yl)pyridin-2-yl]cyclohexylamino}pyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide;INCB8761(PF-4136309); |
Density: | 1.40±0.1 g/cm3(Predicted) |
Boiling Point: | 712.2±60.0 °C(Predicted) |
Appearance: | Off-white to light yellow solid |
PSA: | 120.34000 |
LogP: | 4.02780 |
4-hydroxy-4-(5-(pyrimidin-2-yl)pyridin-2-yl)cyclohexanone
(S)-N-{2-[3-aminopyrrolidin-1-yl]-2-oxoethyl}-3-(trifluoromethyl)benzamide hydrochloride
PF-4136309
Conditions | Yield |
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Stage #1: 4-hydroxy-4-(5-(pyrimidin-2-yl)pyridin-2-yl)cyclohexanone; (S)-N-{2-[3-aminopyrrolidin-1-yl]-2-oxoethyl}-3-(trifluoromethyl)benzamide hydrochloride With triethylamine In 2-methyl-propan-1-ol for 0.5h; Cooling with ice; Stage #2: With sodium tris(acetoxy)borohydride In 2-methyl-propan-1-ol at 20℃; for 4h; | 66% |
2,5-dibromopyridine
PF-4136309
Conditions | Yield |
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Multi-step reaction with 4 steps 1.1: n-butyllithium / toluene / 2.5 h / -78 °C 1.2: -78 - 20 °C 2.1: isopropylmagnesium chloride / tetrahydrofuran / 3.67 h / 25 °C / Inert atmosphere 2.2: 25 °C / Inert atmosphere 3.1: hydrogenchloride / tetrahydrofuran; water / 1 h / 20 - 25 °C 4.1: triethylamine / 2-methyl-propan-1-ol / 0.5 h / Cooling with ice 4.2: 4 h / 20 °C View Scheme |
cyclohexanedione monoethylene ketal
PF-4136309
Conditions | Yield |
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Multi-step reaction with 4 steps 1.1: n-butyllithium / toluene / 2.5 h / -78 °C 1.2: -78 - 20 °C 2.1: isopropylmagnesium chloride / tetrahydrofuran / 3.67 h / 25 °C / Inert atmosphere 2.2: 25 °C / Inert atmosphere 3.1: hydrogenchloride / tetrahydrofuran; water / 1 h / 20 - 25 °C 4.1: triethylamine / 2-methyl-propan-1-ol / 0.5 h / Cooling with ice 4.2: 4 h / 20 °C View Scheme |
8-(5-bromopyridin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PF-4136309
Conditions | Yield |
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Multi-step reaction with 3 steps 1.1: isopropylmagnesium chloride / tetrahydrofuran / 3.67 h / 25 °C / Inert atmosphere 1.2: 25 °C / Inert atmosphere 2.1: hydrogenchloride / tetrahydrofuran; water / 1 h / 20 - 25 °C 3.1: triethylamine / 2-methyl-propan-1-ol / 0.5 h / Cooling with ice 3.2: 4 h / 20 °C View Scheme |
8-(5-pyrimidin-2-ylpyridin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
PF-4136309
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: hydrogenchloride / tetrahydrofuran; water / 1 h / 20 - 25 °C 2.1: triethylamine / 2-methyl-propan-1-ol / 0.5 h / Cooling with ice 2.2: 4 h / 20 °C View Scheme |
m-trifluoromethylhippuric acid
PF-4136309
Conditions | Yield |
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Multi-step reaction with 3 steps 1.1: (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine / N,N-dimethyl-formamide / 20 °C / Cooling with ice 2.1: hydrogenchloride / 1,4-dioxane; methanol / 1 h / 20 °C 3.1: triethylamine / 2-methyl-propan-1-ol / 0.5 h / Cooling with ice 3.2: 4 h / 20 °C View Scheme |