Xanthine amine congener

Base Information

Chemical Name:Xanthine amine congener
CAS No.:96865-92-8
Molecular Formula:C21H28 N6 O4
Molecular Weight:428.491
Hs Code.:
DSSTox Substance ID:DTXSID10242595
Nikkaji Number:J356.342A
Wikidata:Q27089239
Pharos Ligand ID:TSUTUFM94V1P
ChEMBL ID:CHEMBL273094
Mol file:96865-92-8.mol

Synonyms:8-(4-(((2-(4-aminophenylacetylamino)ethyl)carbonyl)methyl)oxy)phenyl-1,3-dipropylxanthine;8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine;8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine, 3H-labeled;PAPAXAC;xanthine amine congener XAC

Suppliers and Price of Xanthine amine congener

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

Usbiological
XAC
10mg
$ 389.00

TRC
XanthineAmineCongener
25mg
$ 655.00

TRC
XanthineAmineCongener
5mg
$ 160.00

Tocris
XAC ≥98%(HPLC)
10
$ 150.00

Tocris
XAC ≥98%(HPLC)
50
$ 628.00

DC Chemicals
Xanthineaminecongener >98%
1 g
$ 2500.00

DC Chemicals
Xanthineaminecongener >98%
250 mg
$ 1300.00

DC Chemicals
Xanthineaminecongener >98%
100 mg
$ 750.00

Cayman Chemical
Xanthine amine congener ≥98%
5mg
$ 65.00

Cayman Chemical
Xanthine amine congener ≥98%
25mg
$ 293.00

Total 5 raw suppliers

Chemical Property of Xanthine amine congener

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：137.03000
Density:1.262g/cm³
LogP:1.91820
Storage Temp.:Desiccate at RT
Solubility.:DMSO: >5mg/mL
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:428.21720340
Heavy Atom Count:31
Complexity:639

Purity/Quality:

≥98% ^*data from raw suppliers

XAC ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN
Uses Xanthine amine congener is a potent nonselective adenosine receptor inhibitor.

Technology Process of Xanthine amine congener

There total 7 articles about Xanthine amine congener 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: 99.0%

: 96865-87-1
8-<4-<(carboxymethyl)oxy>phenyl>-1,3-dipropylxanthine ethyl ester

: 107-15-3,85404-18-8
ethylenediamine

: 96865-92-8
8-<4-<<<<(2-aminoethyl)amino>carbonyl>methyl>oxy>phenyl>-1,3-dipropylxanthine

Guidance literature:: In N,N-dimethyl-formamide;
DOI:10.1021/jm00147a038

Reference yield:

: 81250-34-2
1,3-dipropyl-5,6-diaminouracil

: 96865-92-8
8-<4-<<<<(2-aminoethyl)amino>carbonyl>methyl>oxy>phenyl>-1,3-dipropylxanthine

Guidance literature:: Multi-step reaction with 3 steps

1: 86 percent / acetic acid / methanol / 0.25 h / Heating

2: 71 percent / ferric chloride / 24 h / Heating

3: 99 percent / dimethylformamide

With iron(III) chloride; acetic acid; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00147a038

Reference yield:

: 123-08-0,65581-83-1
4-hydroxy-benzaldehyde

: 96865-92-8
8-<4-<<<<(2-aminoethyl)amino>carbonyl>methyl>oxy>phenyl>-1,3-dipropylxanthine

Guidance literature:: Multi-step reaction with 4 steps

1: 60 percent / potassium carbonate / dimethylformamide / 72 h / 60 °C

2: 86 percent / acetic acid / methanol / 0.25 h / Heating

3: 71 percent / ferric chloride / 24 h / Heating

4: 99 percent / dimethylformamide

With iron(III) chloride; potassium carbonate; acetic acid; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00147a038