Details of the Drug

General Information of Drug (ID: DMVJXQ9)

• Drug Name: 2-amino-4,6-dimethylpyridine
• Synonyms: 2-AMINO-4,6-DIMETHYLPYRIDINE; 5407-87-4; 4,6-dimethylpyridin-2-amine; 6-Amino-2,4-lutidine; 2-Pyridinamine, 4,6-dimethyl-; 4,6-Dimethyl-2-pyridinamine; 4,6-Dimethyl-2-pyridylamine; Pyridine, 2-amino-4,6-dimethyl-; 2,4-Lutidine, 6-amino-; NSC 10731; 2-Amino-4,6-dimehtylpyridine; EINECS 226-470-9; UNII-7NVZ9DW9Q5; BRN 0002048; 7NVZ9DW9Q5; CHEMBL59925; 4,6-Dimethyl-2-aminopyridine; 2-amino-4,6-dimethyl pyridine; 4,6-Dimethyl-pyridin-2-ylamine; BRBUBVKGJRPRRD-UHFFFAOYSA-N; 2-Amino-4,6-dimethylpyridine, 99%; PubChem19956; AC1Q2ICQ

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 122.17
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C7H10N2
  IUPAC Name: 4,6-dimethylpyridin-2-amine
  Canonical SMILES: CC1=CC(=NC(=C1)N)C
  InChI: InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
  InChIKey: BRBUBVKGJRPRRD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 21507
  CAS Number: 5407-87-4
  TTD ID: D0W9UV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase brain (NOS1)	TTZUFI5	NOS1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nitric-oxide synthase brain (NOS1)	DTT	NOS1	5.20E-01	0.02	0.07

References

• [1] L337H mutant of rat neuronal nitric oxide synthase resembles human neuronal nitric oxide synthase toward inhibitors. J Med Chem. 2009 Jul 23;52(14):4533-7.