2-Hexynyl-NECA

Base Information

Chemical Name:2-Hexynyl-NECA
CAS No.:141018-30-6
Molecular Formula:C₁₈H₂₄N₆O₄
Molecular Weight:388.426
Hs Code.:
DSSTox Substance ID:DTXSID401276119
Nikkaji Number:J496.843C
Wikidata:Q27071898
Pharos Ligand ID:L4HD5SHV5X6Q
ChEMBL ID:CHEMBL410873
Mol file:141018-30-6.mol

Synonyms:2-hexynyl-5'-N-ethylcarboxamidoadenosine;2-hexynyl-NECA;2-hexynyladenosine-5'-N-ethylcarboxamide;HENECA

Suppliers and Price of 2-Hexynyl-NECA

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

TRC
2-Hexynyl-5''-N-ethylcarboxamidoadenosine
5mg
$ 195.00

Medical Isotopes, Inc.
2-Hexynyl-5??-N-ethylcarboxamidoadenosine
50 mg
$ 2400.00

Total 5 raw suppliers

Chemical Property of 2-Hexynyl-NECA

Chemical Property:

Melting Point:135-140°C
Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：148.41000
Density:1.49g/cm³
LogP:0.67760
Storage Temp.:2-8°C
Solubility.:DMSO: 20 mg/mL
XLogP3:0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:388.18590327
Heavy Atom Count:28
Complexity:622

Purity/Quality:

95% ^*data from raw suppliers

2-Hexynyl-5''-N-ethylcarboxamidoadenosine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC#CC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)C(=O)NCC)O)O)N
Isomeric SMILES:CCCCC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC)O)O)N
Uses Possesses high affinity to adenosine (A1 & A2) receptors, inhibiting radioligands from binding to these sites

Technology Process of 2-Hexynyl-NECA

There total 9 articles about 2-Hexynyl-NECA 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: 86.0%

: 142103-03-5
2',3'-O-isopropylidene-2-(1-hexyn-1-yl)adenosine-5'-N-ethyluronamide

: 141018-30-6
HE-NECA

Guidance literature:: With trifluoroacetic acid; for 2h; Ambient temperature;
DOI:10.1021/jm00093a022

Reference yield: 76.0%

: 141018-29-3
2-iodo-5'-N-ethylcarboxamidoadenosine

: 693-02-7
hex-1-yne

: 141018-30-6
HE-NECA

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 25 ℃; for 88h; Inert atmosphere;
DOI:10.1016/j.tet.2009.08.057