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251992-66-2,MFCD09038566
Catalog No.:AA002QS2

251992-66-2 | A-205804

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Purity
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1mg
≥95%
in stock  
$46.00   $32.00
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100mg
95%
in stock  
$97.00   $68.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002QS2
Chemical Name:
A-205804
CAS Number:
251992-66-2
Molecular Formula:
C15H12N2OS2
Molecular Weight:
300.3986
MDL Number:
MFCD09038566
SMILES:
Cc1ccc(cc1)Sc1cncc2c1cc(s2)C(=O)N
Properties
Properties
 
BP:
581.348°C at 760 mmHg  
Form:
Solid  
MP:
198-199℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
358  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.5  

Downstream Synthesis Route
4-<i>p</i>-tolylsulfanyl-thieno2,3-<i>c</i>pyridine-2-carbonylchloride 
  251992-66-2 

[1]Stewart;Bhatia;McCarty;Patel;Staeger;Arendsen;Gunawardana;Melcher;Zhu;Boyd;Fry;Cool;Kiflie;Lartey;Marsh;Kempf-Grote;Kilgannon;Wisdom;Meyer;Gallatin;Okasinskit[JournalofMedicinalChemistry,2001,vol.44,#6,p.988-1002]

251992-66-2   
4-(4-methylphenyl)thiothieno2,3-cpyridine-2-carbothioamide 

[1]Stewart;Bhatia;McCarty;Patel;Staeger;Arendsen;Gunawardana;Melcher;Zhu;Boyd;Fry;Cool;Kiflie;Lartey;Marsh;Kempf-Grote;Kilgannon;Wisdom;Meyer;Gallatin;Okasinskit[JournalofMedicinalChemistry,2001,vol.44,#6,p.988-1002]

[1]Stewart;Bhatia;McCarty;Patel;Staeger;Arendsen;Gunawardana;Melcher;Zhu;Boyd;Fry;Cool;Kiflie;Lartey;Marsh;Kempf-Grote;Kilgannon;Wisdom;Meyer;Gallatin;Okasinskit[JournalofMedicinalChemistry,2001,vol.44,#6,p.988-1002]

[1]Stewart;Bhatia;McCarty;Patel;Staeger;Arendsen;Gunawardana;Melcher;Zhu;Boyd;Fry;Cool;Kiflie;Lartey;Marsh;Kempf-Grote;Kilgannon;Wisdom;Meyer;Gallatin;Okasinskit[JournalofMedicinalChemistry,2001,vol.44,#6,p.988-1002]

[1]Stewart;Bhatia;McCarty;Patel;Staeger;Arendsen;Gunawardana;Melcher;Zhu;Boyd;Fry;Cool;Kiflie;Lartey;Marsh;Kempf-Grote;Kilgannon;Wisdom;Meyer;Gallatin;Okasinskit[JournalofMedicinalChemistry,2001,vol.44,#6,p.988-1002]

Literature

Title: Selective inhibition of ICAM-1 and E-selectin expression in human endothelial cells. 2. Aryl modifications of 4-(aryloxy)thieno[2,3-c]pyridines with fine-tuning at C-2 carbamides.

Journal: Journal of medicinal chemistry 20011011

Title: Stewart AO, et al. Discovery of inhibitors of cell adhesion molecule expression in human endothelial cells. 1. Selective inhibition of ICAM-1 and E-selectin expression. J Med Chem. 2001 Mar 15;44(6):988-1002.

Title: Morita K, et al. RUNX transcription factors potentially control E-selectin expression in the bone marrow vascular niche in mice. Blood Adv. 2018 Mar 13;2(5):509-515.

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