Compound Summary
Xanthine amine congener
Compound Information
Xanthine amine congener
Compound Name: | Xanthine amine congener |
Compound CID: | 5697 |
Synonyms: | Xanthine amine congener 96865-92-8 XAC Papaxac N-(2-aminoethyl)-2-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxyacetamide More... |
Iupac Name: | N-(2-aminoethyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide |
InChI: | InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25) |
InChIKey: | FIQGIOAELHTLHM-UHFFFAOYSA-N |
Canonical Smiles: | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN |
Isomeric Smiles: | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN |
Molecular Weight: | 428.5 |
Molecular Formula: | C21H28N6O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Xanthine amine congener
Molecular Weight: | 428.5 |
Molecular Formula: | C21H28N6O4 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 31 |
Complexity: | 639 |
Synonyms
Xanthine amine congener
| Xanthine amine congener | Xanthine amine congener |
|---|---|
Xanthine amine congener |
96865-92-8 |
XAC |
Papaxac |
N-(2-aminoethyl)-2-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxyacetamide |
CHEMBL273094 |
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine |
n-(2-aminoethyl)-2-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)phenoxyacetamide |
Xanthine amine congener xac |
8-4-(2-Aminoethyl)aminocarbonylmethyloxyphenyl-1,3-dipropylxanthine |
N-(2-aminoethyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide |
3Hxanthine amine congener |
3HXAC |
Lopac-X-103 |
8-(4-(((2-(4-Aminophenylacetylamino)ethyl)carbonyl)methyl)oxy)phenyl-1,3-dipropylxanthine |
Lopac0_001279 |
GTPL404 |
GTPL432 |
SCHEMBL1000686 |
DTXSID10242595 |
Xanthine amine congener pound>>XAC |
ZINC9210767 |
BDBM50207816 |
PDSP1_000319 |
PDSP1_000445 |
PDSP2_000317 |
PDSP2_000443 |
CCG-205352 |
LP01279 |
SDCCGSBI-0051245.P002 |
NCGC00016097-01 |
NCGC00016097-02 |
NCGC00016097-03 |
NCGC00016097-04 |
NCGC00094514-01 |
NCGC00094514-02 |
Xanthine amine congener, >=96% (HPLC) |
EU-0101279 |
X-103 |
L000963 |
SR-01000075243 |
SR-01000075243-1 |
Q27089239 |
3,7-diethyl-9-(4-(N-2-aminoethylcarboxamidomethoxy))phenylxanthine |
Xanthine, 8-4-(2-aminoethyl)aminocarbonylmethoxyphenyl-1,3-dipropyl |
Acetamide, N-(2-aminoethyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)- |
N-(2-Amino-ethyl)-2-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy-acetamide |
N-(2-Amino-ethyl)-2-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy-acetamide (xanthine amine congenere, XAC) |
N-(2-Amino-ethyl)-2-4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy-acetamide(XAC) |
N-(2-Amino-ethyl)-2-4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)-phenoxy-acetamide |
N-(2-Aminoethyl)-2-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy-acetamide hydrochloride |
N-(2-Aminoethyl)-2-4-(2,6-dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxyacetamide # |
Experimental Data
Xanthine amine congener
| 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 | -6.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Xanthine amine congener
Statistics Data
Xanthine amine congener
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -6.000000000000000 | 1 | 1 |
Statistics Data Visualization
Xanthine amine congener
