Home Fluorides 1161233-85-7
1161233-85-7,MFCD17215196
Catalog No.:AA000BLS
1161233-85-7 | 4H-1,3-Benzothiazin-4-one, 2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-
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1mg
≥98%
in stock  
$101.00   $71.00
- +
5mg
98% by HPLC
in stock  
$179.00   $125.00
- +
10mg
98% by HPLC
in stock  
$258.00   $180.00
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25mg
98% by HPLC
in stock  
$473.00   $331.00
- +
50mg
98% by HPLC
in stock  
$761.00   $533.00
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100mg
98% by HPLC
in stock  
$1,270.00   $889.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000BLS
Chemical Name:
4H-1,3-Benzothiazin-4-one, 2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-
CAS Number:
1161233-85-7
Molecular Formula:
C17H16F3N3O5S
Molecular Weight:
431.3862
MDL Number:
MFCD17215196
IUPAC Name:
2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
InChI:
InChI=1S/C17H16F3N3O5S/c1-9-8-27-16(28-9)2-4-22(5-3-16)15-21-14(24)11-6-10(17(18,19)20)7-12(23(25)26)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
InChI Key:
GTUIRORNXIOHQR-VIFPVBQESA-N
SMILES:
C[C@H]1COC2(O1)CCN(CC2)c1nc(=O)c2c(s1)c(cc(c2)C(F)(F)F)[N+](=O)[O-]
UNII:
G55ZH52P57
Properties
Computed Properties
 
Complexity:
720  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
431.076g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.386g/mol
Monoisotopic Mass:
431.076g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
2-(2-methyl-1,4-dioxa-8-azaspiro(4.5)dec-8-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one 
BTZ 043 
G55ZH52P57 
MMV676603 
BTZ-10526043 
(S)-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one 
S1097_Selleck 
PBTZ 169 
CHEMBL1822872 
KS-00000TSA 
DTXSID80151286 
BCPP000312 
BTZ038 
BTZ-043;BTZ 043 
EX-A1012 
MFCD17215196 
ZINC43208590 
AKOS030526000 
BCP9000457 
CS-5635 
SB22928 
BTZ 10526043 
HY-13579 
BTZ043 
BTZ043 - BTZ038 - BTZ044 
[2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-4-oxo-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]azinic acid 
2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one 
4H-1,3-Benzothiazin-4-one, 2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)- 
GTUIRORNXIOHQR-VIFPVBQESA-N 
957217-65-1 
BTZ043 
1161233-85-7 
BTZ-043 
UNII-G55ZH52P57 
SCHEMBL2488829 
BTZ 043 
Literature

Title: Synthesis and structure-activity relationships evaluation of benzothiazinone derivatives as potential anti-tubercular agents.

Journal: Bioorganic & medicinal chemistry letters 20130901

Title: Identification of antitubercular benzothiazinone compounds by ligand-based design.

Journal: Journal of medicinal chemistry 20120913

Title: Tuberculosis: the drug development pipeline at a glance.

Journal: European journal of medicinal chemistry 20120501

Title: Benzothiazinones kill Mycobacterium tuberculosis by blocking arabinan synthesis.

Journal: Science (New York, N.Y.) 20090508

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