Compound Summary
Metrifudil
Compound Information
Metrifudil
Compound Name: | Metrifudil |
Compound CID: | 65710 |
Synonyms: | Metrifudil 23707-33-7 UNII-7K4GKQ4XSE Th 322 7K4GKQ4XSE More... |
Iupac Name: | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol |
InChI: | InChI=1S/C18H21N5O4/c1-10-4-2-3-5-11(10)6-19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)12(7-24)27-18/h2-5,8-9,12,14-15,18,24-26H,6-7H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1 |
InChIKey: | OOEMZCZWZXHBKW-SCFUHWHPSA-N |
Canonical Smiles: | CC1=CC=CC=C1CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O |
Isomeric Smiles: | CC1=CC=CC=C1CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
Molecular Weight: | 371.4 |
Molecular Formula: | C18H21N5O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Metrifudil
Molecular Weight: | 371.4 |
Molecular Formula: | C18H21N5O4 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 27 |
Complexity: | 500 |
Synonyms
Metrifudil
| Metrifudil | Metrifudil |
|---|---|
Metrifudil |
23707-33-7 |
UNII-7K4GKQ4XSE |
Th 322 |
7K4GKQ4XSE |
CHEMBL331382 |
Y-341 |
6-(o-Methylbenzylamino)-9-beta-D-ribofuranosyl-9H-purine |
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-6-(2-methylphenyl)methylaminopurin-9-yloxolane-3,4-diol |
Metrifudilum |
Metrifudil INN |
Metrifudilum INN-Latin |
NCGC00015640-02 |
N-(2-Methylphenyl)methyladenosine |
Adenosine analog, 16 |
Y 341 |
DSSTox_CID_25168 |
DSSTox_RID_80718 |
DSSTox_GSID_45168 |
GTPL426 |
SCHEMBL472516 |
n6 -(2-methylbenzyl)adenosine |
DTXSID1045168 |
ZINC4216929 |
Tox21_110187 |
BDBM50080390 |
TH-322 |
CAS-23707-33-7 |
Q27085930 |
(2R,3R,4S,5R)-2-(6-(2-methyl-benzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol |
(2R,3S,4R,5R)-2-Hydroxymethyl-5-6-(2-methyl-benzylamino)-purin-9-yl-tetrahydro-furan-3,4-diol |
Experimental Data
Metrifudil
| 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 | 1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Metrifudil
Statistics Data
Metrifudil
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1.000000000000000 | 1 | 1 |
Statistics Data Visualization
Metrifudil
