Dasantafil

Base Information

Chemical Name:Dasantafil
CAS No.:569351-91-3
Molecular Formula:C22H28BrN5O5
Molecular Weight:522.399
Hs Code.:
UNII:48P711MI2G
DSSTox Substance ID:DTXSID30205480
Nikkaji Number:J3.498.397F
Wikidata:Q27259160
NCI Thesaurus Code:C76888
ChEMBL ID:CHEMBL2107326

Synonyms:Dasantafil;569351-91-3;Dasantafil [USAN:INN];7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-(((1R,2R)-2-hydroxycyclopentyl)amino)-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione;SCH-446132;UNII-48P711MI2G;48P711MI2G;SCH 446132;7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-[[(1R,2R)-2-hydroxycyclopentyl]amino]-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione;Dasantafil < USAN;DASANTAFIL [INN];Dasantafil (USAN/INN);DASANTAFIL [USAN];D0K2QG;DASANTAFIL [WHO-DD];SCHEMBL439394;CHEMBL2107326;DTXSID30205480;rel-7-[(3-Bromo-4-methoxyphenyl)methyl]-1-ethyl-3,7-dihydro-8-[[(1R,2R)-2-hydroxycyclopentyl]amino]-3-(2-hydroxyethyl)-1H-purine-2,6-dione;SCH446132;AKOS040748215;J3.498.397F;D03657;Q27259160;1-Ethyl-3-(2-hydroxyethyl)-7-(3-bromo-4-methoxybenzyl)-8-((1R,2R)-2-hydroxycyclopentane-1-yl)amino-7H-purine-2(3H),6(1H)-dione;1H-PURINE-2,6-DIONE, 7-((3-BROMO-4-METHOXYPHENYL)METHYL)-1-ETHYL-3,7-DIHYDRO-8-(((1R,2R)-2-HYDROXYCYCLOPENTYL)AMINO)-3-(2-HYDROXYETHYL);1H-Purine-2,6-dione, 7-((3-bromo-4-methoxyphenyl)methyl)-1-ethyl-3,7-dihydro-8-(((1R,2R)-2-hydroxycyclopentyl)amino)-3-(2-hydroxyethyl)-;7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-[2(R)-hydroxycyclopent-1(R)-ylamino]-3-(2-hydroxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione;7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-[2(R)-hydroxycyclopent-1(R)-ylamino]-3-(2-hydroxyethyl)xanthine;7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[[(1r,2r)-2-hydroxycyclopentyl]amino]-3-(2-hydroxyethyl)purine-2,6-dione

Suppliers and Price of Dasantafil

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 6 raw suppliers

Chemical Property of Dasantafil

Chemical Property:

Vapor Pressure:3.51E-23mmHg at 25°C
Boiling Point:743°Cat760mmHg
Flash Point:403.1°C
Density:1.62g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:521.12738
Heavy Atom Count:33
Complexity:717

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)NC4CCCC4O)N(C1=O)CCO
Isomeric SMILES:CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)N[C@@H]4CCC[C@H]4O)N(C1=O)CCO

Technology Process of Dasantafil

There total 2 articles about Dasantafil 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: 85.0%

: 1-ethyl-3,7-dihydro-8-[(1R,2R)-(hydroxycyclopentyl)amino]-3-(2-hydroxyethyl)-7-[(3-bromo-4-methoxyphenyl)methyl]-1H-purine-2,6-dione

: 569351-91-3
7-(3-bromo-4-methoxybenzyl)-1-ethyl-8-(((1R,2R)-2-hydroxycyclopentyl)amino)-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione

Guidance literature:: With tetra(n-butyl)ammonium hydroxide; acetic acid; In methanol; ISOPROPYLAMIDE; acetic acid; at 45 - 85 ℃; for 8 - 9h; pH=5 - 6;

Reference yield:

: C₂₈H₄₄BrN₅O₅Si

: 569351-91-3
7-(3-bromo-4-methoxybenzyl)-1-ethyl-8-(((1R,2R)-2-hydroxycyclopentyl)amino)-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran;

Reference yield: 83.0%

: 569351-91-3
7-(3-bromo-4-methoxybenzyl)-1-ethyl-8-(((1R,2R)-2-hydroxycyclopentyl)amino)-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione

: C₂₂H₂₉N₅O₆

Guidance literature:: With [(2-di-tert-butylphosphino-3-methoxy-6-methyl-2,4,6-triisopropyl-1,1-biphenyl)-2-(2-aminobiphenyl)]palladium(II) methanesulfonate; caesium carbonate; Benzaldoxime; In N,N-dimethyl-formamide; at 80 ℃; for 18h; Inert atmosphere; Glovebox; Sealed tube;
DOI:10.1002/anie.201700244