benzyl (2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3'-amino-3,6,11',12b'-tetramethyl-2',3,3a,3',4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,4H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]-4-carboxylate

Modify Date: 2024-01-13 10:12:31

benzyl (2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3'-amino-3,6,11',12b'-tetramethyl-2',3,3a,3',4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,4H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]-4-carboxylate Structure
benzyl (2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3'-amino-3,6,11',12b'-tetramethyl-2',3,3a,3',4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,4H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]-4-carboxylate structure
Common Name benzyl (2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3'-amino-3,6,11',12b'-tetramethyl-2',3,3a,3',4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,4H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]-4-carboxylate
CAS Number 1037211-12-3 Molecular Weight 560.81000
Density N/A Boiling Point N/A
Molecular Formula C36H52N2O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name benzyl (2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3'-amino-3,6,11',12b'-tetramethyl-2',3,3a,3',4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,4H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]-4-carboxylate

 Chemical & Physical Properties

Molecular Formula C36H52N2O3
Molecular Weight 560.81000
Exact Mass 560.39800
PSA 64.79000
LogP 8.12570

 Synthetic Route

~86%

benzyl (2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3'-amino-3,6,11',12b'-tetramethyl-2',3,3a,3',4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,4H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]-4-carboxylate Structure

benzyl (2S,3R,3...

CAS#:1037211-12-3

Literature: Tremblay, Martin R.; Lescarbeau, Andre; Grogan, Michael J.; Tan, Eddy; Lin, Grace; Austad, Brian C.; Yu, Lin-Chen; Behnke, Mark L.; Nair, Somarajan J.; Hagel, Margit; White, Kerry; Conley, James; Manna, Joseph D.; Alvarez-Diez, Teresa M.; Hoyt, Jennifer; Woodward, Caroline N.; Sydor, Jens R.; Pink, Melissa; MacDougall, John; Campbell, Matthew J.; Cushing, Jill; Ferguson, Jeanne; Curtis, Michael S.; McGovern, Karen; Read, Margaret A.; Palombella, Vito J.; Adams, Julian; Castro, Alfredo C. Journal of Medicinal Chemistry, 2009 ,  vol. 52,  # 14  p. 4400 - 4418

~%

benzyl (2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3'-amino-3,6,11',12b'-tetramethyl-2',3,3a,3',4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,4H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]-4-carboxylate Structure

benzyl (2S,3R,3...

CAS#:1037211-12-3

Literature: INFINITY PHARMACEUTICALS, INC.; AUSTAD, Brian; BAHADOOR, Adilah; BELANI, Jitendra, D.; JANARDANANNAIR, Somarajannair; JOHANNES, Charles, W.; KEANEY, Gregg, F.; LO, Ching, Kam; WALLERSTEIN, Sheldon, L. Patent:   WO2011/17551 A1, 2011 ;

~%

benzyl (2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3'-amino-3,6,11',12b'-tetramethyl-2',3,3a,3',4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,4H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]-4-carboxylate Structure

benzyl (2S,3R,3...

CAS#:1037211-12-3

Literature: INFINITY PHARMACEUTICALS, INC.; AUSTAD, Brian; BAHADOOR, Adilah; BELANI, Jitendra, D.; JANARDANANNAIR, Somarajannair; JOHANNES, Charles, W.; KEANEY, Gregg, F.; LO, Ching, Kam; WALLERSTEIN, Sheldon, L. Patent:   WO2011/17551 A1, 2011 ;
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