Details of the Drug

General Information of Drug (ID: DMGEVBH)

• Drug Name: Aminothiazoline
• Synonyms: 2-AMINOTHIAZOLE; aminothiazole; 96-50-4; thiazol-2-amine; 2-Thiazolamine; 1,3-Thiazol-2-amine; 2-Thiazolylamine; Abadole; Basedol; Abadol; 2-Thiazylamine; 4-Thiazolin-2-onimine; 2-Amino-1,3-thiazole; Aminothiazol; Aminotiazol; Aminothiazolum; Thiazole, 2-amino-; 2-Aminothiazol; 2-amino thiazole; USAF EK-P-5501; Aminothiazole [INN]; Aminotiazolo [DCIT]; Thiazolamine; RP 2921; Aminothiazol [INN-French]; Aminotiazol [INN-Spanish]; NSC 1900; Aminothiazolum [INN-Latin]; Thiazol-2-ylamine; UNII-5K8WKN668K; CCRIS 1279; 2-Aminothiazole, 97%

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); 100.14
  Topological Polar Surface Area (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C3H4N2S
  IUPAC Name: 1,3-thiazol-2-amine
  Canonical SMILES: C1=CSC(=N1)N
  InChI: InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
  InChIKey: RAIPHJJURHTUIC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2155
  ChEBI ID: CHEBI:40782
  CAS Number: 96-50-4
  TTD ID: D0Y2AO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_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 inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

References

• [1] The design, synthesis and biological evaluation of 7-alkoxy-4-heteroarylamino-3-cyanoquinolines as dual inhibitors of c-Src and iNOS. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6206-9.
• [2] A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20523-8.
• [3] A 2-year randomised, double-blind, placebo-controlled, multicentre study of oral selective iNOS inhibitor, cindunistat (SD-6010), in patients with symptomatic osteoarthritis of the knee. Ann Rheum Dis. 2013 Feb;72(2):187-95.
• [4] Lipopolysaccharide and monophosphoryl lipid A differentially regulate interleukin-12, gamma interferon, and interleukin-10 mRNA production in murine macrophages. Infect Immun. 1997 Aug;65(8):3239-47.
• [5] Nitric oxide associated with iNOS expression inhibits acetylcholinesterase activity and induces memory impairment during acute hypobaric hypoxia. Brain Res. 2008 Sep 16;1230:138-49.
• [6] GW274150, a potent and highly selective inhibitor of iNOS, reduces experimental renal ischemia/reperfusion injury. Kidney Int. 2003 Mar;63(3):853-65.
• [7] Shear stress induces iNOS expression in cultured smooth muscle cells: role of oxidative stress. Am J Physiol Cell Physiol. 2000 Dec;279(6):C1880-8.
• [8] HP-228, a novel synthetic peptide, inhibits the induction of nitric oxide synthase in vivo but not in vitro. J Pharmacol Exp Ther. 1995 Nov;275(2):584-91.
• [9] Efficacy of CR3294, a new benzamidine derivative, in the prevention of 5-fluorouracil-induced gastrointestinal mucositis and diarrhea in mice. Cancer Chemother Pharmacol. 2010 October; 66(5): 819-827.
• [10] WO patent application no. 2014,0214,08, Method for treating cancer by anticancer agent co-administration.
• [11] Critical role of L-arginine in endothelial cell survival during oxidative stress. Circulation. 2003 May 27;107(20):2607-14.