Compound Summary
2-Hexynyl-NECA
Compound Information
2-Hexynyl-NECA
Compound Name: | 2-Hexynyl-NECA |
Compound CID: | 164437 |
Synonyms: | 2-Hexynyl-NECA HE-NECA Heneca 141018-30-6 (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide More... |
Iupac Name: | (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide |
InChI: | InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1 |
InChIKey: | FDEACFAXFCKCHZ-MOROJQBDSA-N |
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 |
Molecular Weight: | 388.4 |
Molecular Formula: | C18H24N6O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
2-Hexynyl-NECA
Molecular Weight: | 388.4 |
Molecular Formula: | C18H24N6O4 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 28 |
Complexity: | 622 |
Synonyms
2-Hexynyl-NECA
| 2-Hexynyl-NECA | 2-Hexynyl-NECA |
|---|---|
2-Hexynyl-NECA |
HE-NECA |
Heneca |
141018-30-6 |
(2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide |
CHEMBL410873 |
2-Hexynyl-5-N-ethylcarboxamidoadenosine |
beta-D-Ribofuranuronamide, 1-6-amino-2-(1-hexyn-1-yl)-9H-purin-9-yl-1-deoxy-N-ethyl- |
(2S,3S,4R,5R)-5-(6-Amino-2-hex-1-ynyl-purin-9-yl)-N-ethyl-3,4-dihydroxy-oxolane-2-carboxamide |
2-Hexynyladenosine-5-N-ethylcarboxamide |
Lopac0_000635 |
GTPL373 |
Adenosine-5-N-ethyluronamide |
SCHEMBL8102867 |
ZINC3779696 |
BDBM50453224 |
PDSP1_000292 |
PDSP1_000974 |
PDSP1_001061 |
PDSP2_000291 |
PDSP2_000958 |
PDSP2_001045 |
2-Hexynyl-5-ethylcarboxamidoadenosine |
CCG-204723 |
HE-NECA, solid, >=98% (HPLC) |
NCGC00094002-01 |
NCGC00094002-02 |
EU-0100635 |
H 8034 |
SR-01000075918 |
SR-01000075918-1 |
Q27071898 |
beta-D-Ribosuranuronamide, 1-(6-amino-2-(1-hexynyl)-9H-purin-9-yl)-1-deoxy-N-ethyl- |
(2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide |
Experimental Data
2-Hexynyl-NECA
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 16.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
2-Hexynyl-NECA
Statistics Data
2-Hexynyl-NECA
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 16.000000000000000 | 1 | 1 |
Statistics Data Visualization
2-Hexynyl-NECA
