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[ CAS No. 908112-43-6 ] {[proInfo.proName]}

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Chemical Structure| 908112-43-6
Chemical Structure| 908112-43-6
Structure of 908112-43-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 908112-43-6 ]

CAS No. :908112-43-6 MDL No. :MFCD16038907
Formula : C23H27F3N4O3 Boiling Point : -
Linear Structure Formula :- InChI Key :ZFVRYNYOPQZKDG-UHFFFAOYSA-N
M.W : 464.48 Pubchem ID :24772860
Synonyms :
PF-04928473

Safety of [ 908112-43-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 908112-43-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 908112-43-6 ]

[ 908112-43-6 ] Synthesis Path-Downstream   1~12

  • 1
  • crizotinib [ No CAS ]
  • [ 74124-79-1 ]
  • [ 908112-43-6 ]
  • (1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl 4-(4-(6-amino-5-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-3-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
14.1 mg A solution of 4-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro H-indazol-l-yl)-2-(((lr,4r)-4- hydroxycyclohexyl)amino)benzamide (46.4 mg, 0.10 mmol), disuccinimidyl carbonate (38.4 mg, 0.15 mmol) and triethylamine (0.10 mL) in DMF (2.0 mL) was stirred at room temperature for 4 hrs. After 3-(l-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(l-(piperidin-4-yl)-lH-pyrazol-4-yl)pyridin-2-a mine (crizotinib) (90 mg, 0.20 mmol) was added, the reaction mixture was continually stirred at room temperature for overnight. Solvent was evaporated under reduced pressure to give a residue, which was purified by ISCO over silica gel to afford (lr,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-lH-ind azol- 1 -yl)phenyl)amino)cyclohexyl 4-(4-(6-amino-5-(l-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-3-yl)- lH-pyrazol-l-yl)piper idine-l-carboxylate (14.1 mg) as a white solid. 1H NMR (400 MHz, Methanol-^) delta 7.84 (d, / = 0.8 Hz, 1H), 7.66 (d, /= 8.4 Hz, 1H), 7.58 - 7.47 (m, 2H), 7.41 (dd, /= 9.0, 4.8 Hz, 1H), 7.24 - 7.15 (m, 1H), 7.06 (d, /= 1.7 Hz, 1H), 6.82 (d, /= 2.1 Hz, 1H), 6.65 (dd, /= 8.5, 2.1 Hz, 1H), 6.26 (q, / = 6.6 Hz, 1H), 4.63-4.59 (m, 2H), 4.33-4.28 (m, 1H), 4.16 (d, / = 13.6 Hz, 2H), 3.48 - 3.38 (m, 1H), 3.00-2.86 (m, 6H), 2.40 (s, 2H), 2.12 - 1.74 (m, 11H), 1.59- 1.34 (m, 4H), 1.01 (s, 6H). ESMS calculated for C45H47CI2F4N9O5: 939.3; found: 940.7 (M + H)+.
  • 2
  • [ 74124-79-1 ]
  • [ 908112-43-6 ]
  • [ 57260-71-6 ]
  • 1-tert-butyl 4-((1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl) piperazine-1,4-dicarboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
58% A solution of 4-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-lH-indazol-l-yl)-2-(((lr,4r)-4- hydroxycyclohexyl)amino)benzamide (557 mg, 1.2 mmol), disuccinimidyl carbonate (460 mg, 1.8 mmol) and triethylamine (0.40 mL) in DMF (10 mL) was stirred at room temperature for overnight. ie/t-Butyl piperazine- 1-carboxylate (452 mg, 2.40 mmol) was added and the reaction mixture was continually stirred at room temperature for 4 hrs. Solvent was evaporated under reduced pressure to give a residue, which was purified by ISCO over silica gel to afford 1-tert-butyl 4-((lr,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-lH- indazol-l-yl)phenyl)amino)cyclohexyl) piperazine- 1,4-dicarboxylate (469 mg, 58%) as a white solid. 1H NMR (400 MHz, Chloroform-J) delta 8.19 (d, /= 7.3 Hz, 1H), 7.50 (d, /= 8.4 Hz, 1H), 6.77 (d, / = 2.0 Hz, 1H), 6.61 (dd, / = 8.4, 2.0 Hz, 1H), 5.68 (s, 2H), 4.74 (s, 1H), 3.44-3.40 (m, 9 H), 2.85 (s, 2H), 2.49 (s, 2H), 2.15-2.08 (m, 4H), 1.57-1.51 (m, 4H), 1.47 (s, 9H), 1.14 (s, 6H). ESMS calculated for C33H43F3N6O6: 676.3; found: 677.5 (M + H)+.
  • 3
  • [ 908112-43-6 ]
  • (1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl piperazine-1-carboxylate hydrochloride [ No CAS ]
  • 4
  • [ 908112-43-6 ]
  • 1-((1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl) 4-((S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl) piperazine-1,4-dicarboxylate [ No CAS ]
  • 5
  • [ 908112-43-6 ]
  • (1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl ((2R,3R,4R,6S)-3-hydroxy-2-methyl-6-(((1R,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)carbamate [ No CAS ]
  • 6
  • [ 908112-43-6 ]
  • 4-nitrophenyl (2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)carbamate [ No CAS ]
  • (1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl (2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
19.2 mg With triethylamine; In N,N-dimethyl-formamide; at 20 - 45℃; for 5.5h; A solution of 4-(6,6-dimethyl-4-oxo-3-(trifluoro hydroxycyclohexyl)amino)benzamide (46.4 mg, 0.10 mmol), 4-nitrophenyl (2-(2,6-dioxopiperidin-3-yl)-l-oxoisoindolin-4-yl)carbamate (42.4 mg, 0.10 mmol) and triethylamine (0.05 mL) in DMF (1.5 mL) was stirred at room temperature for 1.5 hrs and at 45 C for 4 hrs. Solvent was evaporated under reduced pressure to give a residue, which was purified by ISCO over silica gel to afford (lr,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-lH-ind azol- 1 -yl)phenyl)amino)cyclohexyl (2-(2,6-dioxopiperidin-3-yl)-l-oxoisoindolin-4-yl)carbamate (19.2 mg) as an yellow solid. 1H NMR (400 MHz, DMSO-J6) delta 11.02 (s, 1H), 9.52 (s, 1H), 8.45 (d, / = 7.6 Hz, 1H), 7.82-7.76 (m, 3H), 7.53 - 7.43 (m, 3H), 6.92 (d, / = 2.0 Hz, 1H), 6.78 - 6.70 (m, 1H), 5.13 (dd, / = 13.3, 5.1 Hz, 1H), 4.72-4.68 (m, 1H), 4.44 (d, / = 17.6 Hz, 1H), 4.36 (d, / = 17.6 Hz, 1H), 3.52-3.47 (m, 1H), 2.99 (s, 2 H), 2.64-2.60 (m, 2H), 2.45(s, 2H), 2.11 - 1.99 (m, 6H), 1.60-1.34 (m, 4H), 1.04 (s, 6H). ESMS calculated for C37H38F3N7O7: 749.3; found: 750.6 (M + H)+.
  • 7
  • [ 908112-43-6 ]
  • [ 7693-46-1 ]
  • (1r,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)phenyl)amino)cyclohexyl (4-nitrophenyl)carbonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dmap; In dichloromethane; at 20℃; for 1.5h; A solution of 4-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-lH-indazol-l-yl)-2-(((lr,4r)-4- hydroxycyclohexyl)amino)benzamide (464 mg, 1.0 mmol), 4-nitrophenylchloroformate (240 mg, 1.2 mmol) and DMAP (366 mg, 3.0 mmol) in DCM was stirred at room temperature for 1.5 hrs. The reaction mixture was diluted with DCM, washed with 0.1 N HCl and dried with Na2S04. Solvent was evaporated under reduced pressure to give (lr,4r)-4-((2-carbamoyl-5-(6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-lH-ind azol-l-yl)phenyl)amino)cyclohexyl (4-nitrophenyl) carbonate (702 mg, 90% purity) as a yellow solid. ESMS calculated for C30H30F3N5O7: 629.2; found: 630.5 (M + H)+.
  • 8
  • [ 908112-43-6 ]
  • [ 113942-30-6 ]
  • C29H30F3N9O5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
29% With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20℃; for 24.0h; A mixture of compound 5 (50 mg, 0.107 mmol), compound 1 (23 mg, 0.117 mmol), EDC (41 mg, 0.214 mmol), DMAP (2 mg, 0.017 mmol) in CH2C12 (6 mL) was stirred at room temperature for 24 h. Water was added to the reaction mixture and was extracted with CH2C12, organic layer was washed with saturated NaHC03 solution in water (50 mL x 3), brine (50 mL x 2), dried over MgS04, and concentrated. The residue was purified over silica gel column using 2-10% MeOH in DCM to afford a pure product 6 (20 mg, 29%). MR (500 MHz, DMSO-de) delta 1.03 (s, 6 H), 1.23 (s, 2 H), 1.42-1.49 (m, 2 H), 1.70-1.78 (m, 2 H), 2.04-2.12 (m, 4 H), 2.44 (s, 2 H), 2.99 (s, 2 H), 3.57-3.59 (m, 1 H), 3.88 (s, 3 H), 5.06-5.11 (m, 1 H), 6.74 (dd, J = 8.5 and 1.8 Hz, 1 H), 6.93 (d, J = 1.5 Hz, 1 H), 7.35 (br s, 1 H), 7.80 (d, J = 8.5 Hz, 1 H), 8.00 (br. S, 1 H), 8.54 (d, J = 7 Hz, 1 H), 8.83 (s, 1 H); MS m/z 664 (M+Na)+, 642 (M+H)+.
  • 9
  • [ 126-81-8 ]
  • [ 908112-43-6 ]
  • 10
  • [ 41189-09-7 ]
  • [ 908112-43-6 ]
  • 11
  • [ 908111-34-2 ]
  • [ 908112-43-6 ]
  • 12
  • [ 908111-35-3 ]
  • [ 27489-62-9 ]
  • [ 908112-43-6 ]
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