 Home > Encyclopedia > 2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one structure

CAS No:
1161233-85-7
Formula:
C17H16F3N3O5S
Chemical Name:
2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
Synonyms:
4H-1,3-Benzothiazin-4-one,2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-;2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one;BTZ 043;2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-trifluoromethyl-4H-1,3-benzothiazin-4-one;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;2-[(3S)-3-Methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one

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Description

BTZ043 is an inhibitor of decaprenyl-phosphoribose-epimerase (DprE1), with MICs of of 2.3 nM and 9.2 nM for M. tuberculosis H37Rv and Mycobacterium smegmatis, respectively.

2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one Basic Attributes

Molecular Weight：

431.3862496

Exact Mass：

431.39

EC Number：

-0

UNII：

G55ZH52P57

DSSTox ID：

DTXSID80151286

Characteristics

PSA：

122

XLogP3：

2.9

Density：

1.68

Flash Point：

285.0±32.9 °C

Refractive Index：

1.666

Drug Information

MeSH Entry Terms：

2-(2-methyl-1,4-dioxa-8-azaspiro(4.5)dec-8-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one Use and Manufacturing

A suspension of 3.0 g of 2-methylthio-8-nitro-6-trifluoromethyl-4H-1, 3-benzothiazin-4-one (compound 1) in 15 mL of ethanol was treated with 1.5 g of (2S)-2-methyl-1, 4-dioxa-8-azaspiro[4.5]decane at room temperature.4 g of 2-chloro-3-nitro-5-trifluoromethylbenzamide were treated with 3.3 g potassium xanthogenate in 80 mL ethanol at room temperature.

Computed Properties

Molecular Weight:431.4
XLogP3:2.9
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:1
Exact Mass:431.07627628
Monoisotopic Mass:431.07627628
Topological Polar Surface Area:122
Heavy Atom Count:29
Complexity:720
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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BTZ043

CAS No.: 1161233-85-7

Content: 99.00%

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Guide of 2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
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2-[(2S)-2-Methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

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