(2S,3S,4R,5R)-5-[6-amino-2-[2-(4-fluorophenyl)ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

Base Information

Chemical Name:(2S,3S,4R,5R)-5-[6-amino-2-[2-(4-fluorophenyl)ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CAS No.:120225-58-3
Molecular Formula:C₂₀H₂₄FN₇O₄
Molecular Weight:445.453
Hs Code.:
ChEMBL ID:CHEMBL2374466
DSSTox Substance ID:DTXSID601114319
Nikkaji Number:J328.679G

Synonyms:CHEMBL2374466;DTXSID601114319;BDBM50015648;120225-58-3;(2S,3S,4R)-5-{(R)-6-Amino-2-[2-(4-fluoro-phenyl)-ethylamino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide;1-[6-Amino-2-[[2-(4-fluorophenyl)ethyl]amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-beta-D-ribofuranuronamide

Suppliers and Price of (2S,3S,4R,5R)-5-[6-amino-2-[2-(4-fluorophenyl)ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

Supply Marketing:

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

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Chemical Property of (2S,3S,4R,5R)-5-[6-amino-2-[2-(4-fluorophenyl)ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:445.18738043
Heavy Atom Count:32
Complexity:641

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)F)N)O)O
Isomeric SMILES:CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)F)N)O)O

Technology Process of (2S,3S,4R,5R)-5-[6-amino-2-[2-(4-fluorophenyl)ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide

There total 6 articles about (2S,3S,4R,5R)-5-[6-amino-2-[2-(4-fluorophenyl)ethylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide 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:

: 127258-39-3
(3aS,4S,6R,6aR)-6-{6-Amino-2-[2-(4-fluoro-phenyl)-ethylamino]-purin-9-yl}-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid ethylamide

: 120225-58-3
(2S,3S,4R,5R)-5-{6-Amino-2-[2-(4-fluoro-phenyl)-ethylamino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide

Guidance literature:: With hydrogenchloride; at 65 ℃; for 1h; Yield given;
DOI:10.1021/jm00169a015

Reference yield:

: 24639-06-3
((3aR,4R,6R,6aR)-6-(6-amino-2-chloro-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol

: 120225-58-3
(2S,3S,4R,5R)-5-{6-Amino-2-[2-(4-fluoro-phenyl)-ethylamino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide

Guidance literature:: Multi-step reaction with 5 steps

1: 74 percent / aq. KOH, KMnO₄ / H₂O / 72 h

2: SOCl₂ / dimethylformamide / 2 h / 50 °C

3: CH₂Cl₂ / 1 h / Ambient temperature

4: 3 h / 130 °C

5: 1 N HCl / 1 h / 65 °C

With hydrogenchloride; potassium hydroxide; potassium permanganate; thionyl chloride; In dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jm00169a015

Reference yield:

: 72209-19-9
2-chloro-2',3'-O-isopropylideneadenosine-5'-carboxylic acid

: 120225-58-3
(2S,3S,4R,5R)-5-{6-Amino-2-[2-(4-fluoro-phenyl)-ethylamino]-purin-9-yl}-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide

Guidance literature:: Multi-step reaction with 4 steps

1: SOCl₂ / dimethylformamide / 2 h / 50 °C

2: CH₂Cl₂ / 1 h / Ambient temperature

3: 3 h / 130 °C

4: 1 N HCl / 1 h / 65 °C

With hydrogenchloride; thionyl chloride; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00169a015