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Home Amines 66947-92-0
66947-92-0,MFCD00468672
Catalog No.:AA00FALQ

66947-92-0 | 2-Amino-benzothiazole-6-carboxylic acid methyl ester

Pack Size
Purity
Availability
Price(USD)
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1g
98%
in stock  
$29.00   $20.00
- +
5g
95%
in stock  
$38.00   $27.00
- +
10g
98%
in stock  
$54.00   $38.00
- +
25g
95%
in stock  
$132.00   $92.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00FALQ
Chemical Name:
2-Amino-benzothiazole-6-carboxylic acid methyl ester
CAS Number:
66947-92-0
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD00468672
SMILES:
COC(=O)c1ccc2c(c1)sc(n2)N
Properties
Computed Properties
 
Complexity:
237  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.9  

Upstream Synthesis Route

[1]SyntheticCommunications,1980,vol.10,#3,p.167-174

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,#17,p.4982-4986

[1]Patent:WO2008/124393,2008,A1,.Locationinpatent:Page/Pagecolumn33-34

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,#7,p.2324-2328

[2]Patent:WO2008/124393,2008,A1,.Locationinpatent:Page/Pagecolumn33-34

[3]Patent:WO2018/39386,2018,A1,.Locationinpatent:Page/Pagecolumn138;139

[4]Patent:US2014/200215,2014,A1,.Locationinpatent:Paragraph0984;0986

Downstream Synthesis Route
66947-92-0    98-88-4   
2-benzoylamino-benzothiazole-6-carboxylicacidmethylester 

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1950,vol.70,p.271,276    Chem.Abstr.,1951,p.10212

[1]YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1950,vol.70,p.271,276    Chem.Abstr.,1951,p.10212

66947-92-0    541-41-3   
2-Ethoxycarbonylamino-benzothiazole-6-carboxylicacidmethylester 

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1991,vol.30,p.494-498

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1991,vol.30,p.494-498

[1]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1991,vol.30,p.494-498

Literature

Title: One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.

Journal: Journal of medicinal chemistry 20090723

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SDS
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