Atiglai

Base Information

Chemical Name:Atiglai
CAS No.:131432-97-8
Molecular Formula:C21H34F3N5O11
Molecular Weight:589.5167696
Hs Code.:
DSSTox Substance ID:DTXSID80927201
Mol file:131432-97-8.mol

Synonyms:ATIGLAI;N-(2-O-(2-acetamido-1,2,3,5-tetradeoxy-1,5-imino-D-glucitol-3-yl)-D-lactoyl)-L-alanyl-D-isoglutamine;N-(2-O-(2-acetamido-1,2,3,5-tetradeoxy-1,5-iminoglucitol-3-yl)lactoyl)alanyl-isoglutamine

Suppliers and Price of Atiglai

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Atiglai

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:985.8°Cat760mmHg
Flash Point:550°C
PSA：278.17000
Density:g/cm³
LogP:0.56210
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:12
Exact Mass:589.22069140
Heavy Atom Count:40
Complexity:818

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C)OC1C(CNC(C1O)CO)NC(=O)C.C(=O)(C(F)(F)F)O
Isomeric SMILES:C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H](CNC([C@H]1O)CO)NC(=O)C.C(=O)(C(F)(F)F)O

Technology Process of Atiglai

There total 5 articles about Atiglai 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: 100.0%

: 131336-79-3
N-<2-O-<2-acetamido-4,6-O-benzylidene-N-(tert-butoxycarbonyl)-1,2,3,5-tetradeoxy-1,5-imino-D-glucitol-3-yl>-D-lactoyl>-L-alanyl-D-isoglutamine

: 76-05-1
trifluoroacetic acid

: 131432-97-8
N-<2-O-(2-acetamido-1,2,3,5-tetradeoxy-1,5-imino-D-glucitol-3-yl)-D-lactoyl>-L-alanyl-D-isoglutamine trifluoroacetate salt

Guidance literature:: With water; at 0 ℃; for 2.5h;
DOI:10.1016/0008-6215(90)80109-G

Reference yield:

: 133697-23-1
2-azido-4,6-O-benzylidene-N-(tert-butoxycarbonyl)-1,2,5-trideoxy-1,5-imino-D-glucitol

: 131432-97-8
N-<2-O-(2-acetamido-1,2,3,5-tetradeoxy-1,5-imino-D-glucitol-3-yl)-D-lactoyl>-L-alanyl-D-isoglutamine trifluoroacetate salt

Guidance literature:: Multi-step reaction with 5 steps

1: 1) NaH / 1) paraffin oil, dioxane, 60 deg C, 1h, 2) dioxane, 60 deg C, 4h

2: 1) N-hydroxysuccinimide, dicyclohexylcarbodiimide, 2) Et₃N / 1) dioxane, 1 h, r.t., 2) 2 h, r.t.

3: 1) H₂ / 1) 10percent Pd-C / 1) MeOH, EtOH, AcOH, 2 h, 2) MeOH, 1 h, r.t.

4: 100 percent / 0.2M aq. KOH / dioxane; methanol / 1 h / Ambient temperature

5: 100 percent / water / 2.5 h / 0 °C

With potassium hydroxide; 1-hydroxy-pyrrolidine-2,5-dione; water; hydrogen; sodium hydride; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In 1,4-dioxane; methanol;
DOI:10.1016/0008-6215(90)80109-G

Reference yield:

: 2-azido-4,6-O-benzylidene-N-(tert-butoxycarbonyl)-3-O-(D-1-carboxyethyl)-1,2,5-trideoxy-1,5-imino-D-glucitol

: 131432-97-8
N-<2-O-(2-acetamido-1,2,3,5-tetradeoxy-1,5-imino-D-glucitol-3-yl)-D-lactoyl>-L-alanyl-D-isoglutamine trifluoroacetate salt

Guidance literature:: Multi-step reaction with 4 steps

1: 1) N-hydroxysuccinimide, dicyclohexylcarbodiimide, 2) Et₃N / 1) dioxane, 1 h, r.t., 2) 2 h, r.t.

2: 1) H₂ / 1) 10percent Pd-C / 1) MeOH, EtOH, AcOH, 2 h, 2) MeOH, 1 h, r.t.

3: 100 percent / 0.2M aq. KOH / dioxane; methanol / 1 h / Ambient temperature

4: 100 percent / water / 2.5 h / 0 °C

With potassium hydroxide; 1-hydroxy-pyrrolidine-2,5-dione; water; hydrogen; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In 1,4-dioxane; methanol;
DOI:10.1016/0008-6215(90)80109-G