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Home/Compounds/CAS 1161233-85-7
Formula C17H16F3N3O5SMW 431.4Research-use catalog entryCOA/SDS by request

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

CAS Number: 1161233-85-7

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Loading RDKit molecule structure...
InChIKey: GTUIRORNXIOHQR-VIFPVBQESA-NC17H16F3N3O5S | MW 431.4

Chemical Absolute Identifiers

CAS Number

1161233-85-7

PubChem CID

42609849

Molecular Formula

C17H16F3N3O5S

Molecular Weight

431.4 g/mol

Exact Mass

431.076276

InChIKey

GTUIRORNXIOHQR-VIFPVBQESA-N

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

SMILES String

C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

2-((2S)-2-Methyl-1,4-dioxa-8-azaspiro(4. 5)dec-8-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one (CAS 1161233-85-7) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C17H16F3N3O5S and molecular weight 431. 40 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

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

Names & Synonyms

Bzt0434H-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)DECAN-8-YL)-8-NITRO-6-TRIFLUOROMETHYL-4H-1,3-BENZOTHIAZIN-4-ONE4H-1,3-BENZOTHIAZIN-4-ONE, 2-((2S)-2-METHYL-1,4-DIOXA-8-AZASPIRO(4.5)DEC-8-YL)-8-NITRO-6-(TRIFLUOROMETHYL)-2-((3S)-3-methyl-1,4-dioxa-8-azaspiro(4.5)decan-8-yl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
Show all synonyms
BTZ 043(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-one2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-oneBTZ043-racematePBTZ 169BTZ043?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]-4-oxo-6-(trifluoromethyl)-1,3-benzothiazin-8-yl]azinic acid
External Identifiers
DSSTOX SUBSTANCE ID: DTXSID80151286CHEMBL ID: CHEMBL1822872UNII: G55ZH52P57DRUGBANK ID: DB17737WIKIDATA ID: Q27278777
Literature & Patent References
DOI 10.1016/j.ejmech.2023.116023Whole cell hydride Meisenheimer complex biotransformation guided optimization of antimycobacterial benzothiazinones.DOI 10.1016/j.ejmech.2024.116849Replacement of the essential nitro group by electrophilic warheads towards nitro-free antimycobacterial benzothiazinones.DOI 10.1021/acs.jmedchem.3c00925Both Nitro Groups Are Essential for High Antitubercular Activity of 3,5-Dinitrobenzylsulfanyl Tetrazoles and 1,3,4-Oxadiazoles through the Deazaflavin-Dependent Nitroreductase Activation Pathway.PMID 38071794Whole cell hydride Meisenheimer complex biotransformation guided optimization of antimycobacterial benzothiazinones.PMID 38157261Both Nitro Groups Are Essential for High Antitubercular Activity of 3,5-Dinitrobenzylsulfanyl Tetrazoles and 1,3,4-Oxadiazoles through the Deazaflavin-Dependent Nitroreductase Activation Pathway.PMID 39265253Replacement of the essential nitro group by electrophilic warheads towards nitro-free antimycobacterial benzothiazinones.DOI 10.1016/j.bmc.2023.117212Targeting mycobacterial membranes and membrane proteins: Progress and limitations.DOI 10.1016/j.ejmech.2023.1156112,6-Disubstituted 7-(naphthalen-2-ylmethyl)-7H-purines as a new class of potent antitubercular agents inhibiting DprE1.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

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What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

DelamanidCAS 681492-22-8

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 1161233-85-7

What are the key identifiers for 2-((2S)-2-Methyl-1,4-dioxa-8-azaspiro(4.5)dec-8-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one (CAS 1161233-85-7)?

2-((2S)-2-Methyl-1,4-dioxa-8-azaspiro(4.5)dec-8-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one is identified by CAS 1161233-85-7, with molecular formula C17H16F3N3O5S, molecular weight 431.4, InChIKey GTUIRORNXIOHQR-VIFPVBQESA-N.

Can I request a COA for CAS 1161233-85-7?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 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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