[(2S,3S)-1-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-1-oxo-4-phenylbutan-2-yl] 5-[[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2-oxoethyl]amino]-5-oxopentanoate

Base Information

Chemical Name:[(2S,3S)-1-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-1-oxo-4-phenylbutan-2-yl] 5-[[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2-oxoethyl]amino]-5-oxopentanoate
CAS No.:288399-76-8
Molecular Formula:C₄₇H₆₁N₉O₁₂S
Molecular Weight:976.12
Hs Code.:
UNII:W4YMN7T4MX
Nikkaji Number:J1.342.047E
ChEMBL ID:CHEMBL4216661

[(2S,3S)-1-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-1-oxo-4-phenylbutan-2-yl] 5-[[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2-oxoethyl]amino]-5-oxopentanoate

Synonyms:KNI 1039;KNI-1039

Suppliers and Price of [(2S,3S)-1-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-1-oxo-4-phenylbutan-2-yl] 5-[[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2-oxoethyl]amino]-5-oxopentanoate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of [(2S,3S)-1-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-1-oxo-4-phenylbutan-2-yl] 5-[[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2-oxoethyl]amino]-5-oxopentanoate

Chemical Property:

XLogP3:4.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:23
Exact Mass:975.41603959
Heavy Atom Count:69
Complexity:1970

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC(C3C(=O)NC(C)(C)C)(C)C)OC(=O)CCCC(=O)NCC(=O)OCC4C(CC(O4)N5C=C(C(=O)NC5=O)C)N=[N+]=[N-]
Isomeric SMILES:CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)OC(=O)CCCC(=O)NCC(=O)OC[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)C)N=[N+]=[N-]

Technology Process of [(2S,3S)-1-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-1-oxo-4-phenylbutan-2-yl] 5-[[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2-oxoethyl]amino]-5-oxopentanoate

There total 5 articles about [(2S,3S)-1-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-1-oxo-4-phenylbutan-2-yl] 5-[[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2-oxoethyl]amino]-5-oxopentanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 108-55-4
glutaric anhydride,

: 288399-76-8
KNI-1039

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / dicyclohexylamine / tetrahydrofuran; diethyl ether / 20 °C

2: 25 percent / Et₃N; 1-hydroxybenzotriazole; [benzotriazol-1-yloxy-tris(dimethylamino)phosphonium]PF₆ / dimethylformamide / 20 °C

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; triethylamine; N-cyclohexyl-cyclohexanamine; In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide;
DOI:10.1016/S0968-0896(01)00045-1

Reference yield:

: 30516-87-1,399024-19-2
3'-azido-2',3'-deoxythymidine

: 288399-76-8
KNI-1039

Guidance literature:: Multi-step reaction with 3 steps

1: dicyclohexylcarbodiimide; 4-dimethylaminopyridine / dimethylformamide / 18 h / 20 °C

2: 260 mg / aq. HCl; anisole / dioxane / 1 h / 20 °C

3: 25 percent / Et₃N; 1-hydroxybenzotriazole; [benzotriazol-1-yloxy-tris(dimethylamino)phosphonium]PF₆ / dimethylformamide / 20 °C

With hydrogenchloride; dmap; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; methoxybenzene; triethylamine; dicyclohexyl-carbodiimide; In 1,4-dioxane; N,N-dimethyl-formamide;
DOI:10.1016/S0968-0896(01)00045-1

Reference yield:

: 189357-33-3
KNI-727

: 288399-76-8
KNI-1039

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / dicyclohexylamine / tetrahydrofuran; diethyl ether / 20 °C

2: 25 percent / Et₃N; 1-hydroxybenzotriazole; [benzotriazol-1-yloxy-tris(dimethylamino)phosphonium]PF₆ / dimethylformamide / 20 °C

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; triethylamine; N-cyclohexyl-cyclohexanamine; In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide;
DOI:10.1016/S0968-0896(01)00045-1