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Home Amines 20699-85-8
20699-85-8,MFCD04123924
Catalog No.:AA002IPV

20699-85-8 | Methyl 5-amino-1-benzothiophene-2-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$9.00   $7.00
- +
250mg
98%
in stock  
$15.00   $11.00
- +
1g
98%
in stock  
$39.00   $28.00
- +
5g
98%
in stock  
$169.00   $118.00
- +
100g
98%
in stock  
$2,672.00   $1,870.00
- +
  • 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:
AA002IPV
Chemical Name:
Methyl 5-amino-1-benzothiophene-2-carboxylate
CAS Number:
20699-85-8
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD04123924
SMILES:
COC(=O)c1cc2c(s1)ccc(c2)N
Properties
Computed Properties
 
Complexity:
234  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Patent:WO2006/101454,2006,A1,.Locationinpatent:Page/Pagecolumn45

[2]BioorganicandMedicinalChemistry,2002,vol.10,#5,p.1611-1618

[3]JournaloftheAmericanChemicalSociety,2000,vol.122,#27,p.6382-6394

[4]ACSMedicinalChemistryLetters,2014,vol.5,#9,p.963-967

[5]Patent:WO2005/42513,2005,A1,.Locationinpatent:Page/Pagecolumn57-58

[6]Patent:US2004/142953,2004,A1,

[7]Patent:US2005/288282,2005,A1,

[8]Patent:US6897220,2005,B2,

[9]Patent:EP2926660,2015,A1,.Locationinpatent:Paragraph0384

[1]JournaloftheAmericanChemicalSociety,2000,vol.122,#27,p.6382-6394

[2]Patent:WO2006/101454,2006,A1,

[1]Patent:US5863936,1999,A,

[1]Patent:EP2926660,2015,A1,

Downstream Synthesis Route
20699-85-8   
BOCNH-X-CONH-X-OR;mixtureof 
 
5-BOCNH-X-CONH-X-CONH-benzobthiophen-2-yl-COOR;mixtureof 

[1]BioorganicandMedicinalChemistry,2000,vol.8,p.2049-2057

[1]Patent:WO2006/101454,2006,A1.Locationinpatent:Page/Pagecolumn45

[2]BioorganicandMedicinalChemistry,2002,vol.10,p.1611-1618

[3]JournaloftheAmericanChemicalSociety,2000,vol.122,p.6382-6394

[4]ACSMedicinalChemistryLetters,2014,vol.5,p.963-967

[5]Patent:WO2005/42513,2005,A1.Locationinpatent:Page/Pagecolumn57-58

[6]Patent:US2004/142953,2004,A1

[7]Patent:US2005/288282,2005,A1

[8]Patent:US6897220,2005,B2

[9]Patent:EP2926660,2015,A1.Locationinpatent:Paragraph0384

[1]BioorganicandMedicinalChemistry,2002,vol.10,p.1611-1618

[1]JournaloftheAmericanChemicalSociety,2000,vol.122,p.6382-6394

20699-85-8    66493-39-8   
5-(4-<i>tert</i>-butoxycarbonylamino-benzoylamino)-benzo<i>b</i>thiophene-2-carboxylicacidmethylester 

[1]JournaloftheAmericanChemicalSociety,2000,vol.122,p.6382-6394

Literature

Title: Antistaphylococcal activity of DNA-interactive pyrrolobenzodiazepine (PBD) dimers and PBD-biaryl conjugates.

Journal: The Journal of antimicrobial chemotherapy 20120701

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SDS
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