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Details

Stereochemistry ACHIRAL
Molecular Formula C29H23F3N6O2
Molecular Weight 544.5271
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHI-501

SMILES

CN1C(=O)C2=C(C=NC(NC3=CC=C(C)N=C3)=N2)C=C1C4=CC(NC(=O)C5=CC=CC(=C5)C(F)(F)F)=CC=C4C

InChI

InChIKey=MAFNESNJTDKLPG-UHFFFAOYSA-N
InChI=1S/C29H23F3N6O2/c1-16-7-9-21(35-26(39)18-5-4-6-20(11-18)29(30,31)32)13-23(16)24-12-19-14-34-28(37-25(19)27(40)38(24)3)36-22-10-8-17(2)33-15-22/h4-15H,1-3H3,(H,35,39)(H,34,36,37)

HIDE SMILES / InChI

Molecular Formula C29H23F3N6O2
Molecular Weight 544.5271
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:25:41 GMT 2025
Edited
by admin
on Wed Apr 02 12:25:41 GMT 2025
Record UNII
73ET74LVY6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHI-501
Code English
PHI501
Preferred Name English
BENZAMIDE, N-(3-(7,8-DIHYDRO-7-METHYL-2-((6-METHYL-3-PYRIDINYL)AMINO)-8-OXOPYRIDO(3,4-D)PYRIMIDIN-6-YL)-4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-
Systematic Name English
N-(4-METHYL-3-(7-METHYL-2-((6-METHYLPYRIDIN-3-YL)AMINO)-8-OXO-7,8-DIHYDROPYRIDO(3,4-D)PYRIMIDIN-6-YL)PHENYL)-3-(TRIFLUOROMETHYL)BENZAMIDE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 847921
Created by admin on Wed Apr 02 12:25:41 GMT 2025 , Edited by admin on Wed Apr 02 12:25:41 GMT 2025
Code System Code Type Description
FDA UNII
73ET74LVY6
Created by admin on Wed Apr 02 12:25:41 GMT 2025 , Edited by admin on Wed Apr 02 12:25:41 GMT 2025
PRIMARY
PUBCHEM
159507876
Created by admin on Wed Apr 02 12:25:41 GMT 2025 , Edited by admin on Wed Apr 02 12:25:41 GMT 2025
PRIMARY
CAS
2470433-36-2
Created by admin on Wed Apr 02 12:25:41 GMT 2025 , Edited by admin on Wed Apr 02 12:25:41 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR