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Synonyms
4-04-00-01412 (Beilstein Handbook Reference) | BTZ043 Racemate | BTZ043,BTZ038, BTZ044 | CCG-269019 | Benzothiazinone 10526038 | SCHEMBL1752396 | DTXSID80678524 | MS-27672 | 2-[2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4h-1,3
Shipped In
Ice chest + Ice pads
Overview Product Describtion:
BTZ043 racemate is adecaprenylphosphoryl-β-D-ribose 2'-epimerase (DprE1)inhibitor acting as a new antimycobacterial agent that kill Mycobacterium tuberculosis.
Specifications Synonyms
4-04-00-01412 (Beilstein Handbook Reference) | BTZ043 Racemate | BTZ043, BTZ038, BTZ044 | CCG-269019 | Benzothiazinone 10526038 | SCHEMBL1752396 | DTXSID80678524 | MS-27672 | 2-[2-methyl-1, 4-dioxa-8-azaspiro[4.5]dec-8-yl]-8-nitro-6-(trifluoromethyl)-4h-1, 3
Specifications & Purity
≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504770919 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504770919 Canonical Smiles CC1COC2(O1)CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-] IUPAC Name 2-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one InChIKey GTUIRORNXIOHQR-UHFFFAOYSA-N 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 Isomeric SMILES CC1COC2(O1)CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-] Molecular Weight 431.4 Reaxy-Rn 13034878 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13034878&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzothiazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiazines Alternative Parents Azaspirodecane derivatives Dialkylarylamines Nitroaromatic compounds Ketals Benzenoids Piperidines Heteroaromatic compounds 1,3-dioxolanes Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Alkyl fluorides Organic salts Organofluorides Organic cations Molecular Framework Aromatic heteropolycyclic compounds Substituents Azaspirodecane - Benzothiazine - Nitroaromatic compound - Dialkylarylamine - Ketal - Piperidine - Benzenoid - Meta-dioxolane - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Acetal - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Organohalogen compound - Organic oxide - Alkyl fluoride - Alkyl halide - Organic oxygen compound - Organic salt - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 431.400 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 1 Exact Mass 431.076 Da Monoisotopic Mass 431.076 Da Topological Polar Surface Area 122.000 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 720.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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