Determine the necessary mass, volume, or concentration for preparing a solution.
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Why this grade
Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
概要
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.
Specifications
仕様と純度
Moligand™, ≥99%
生化学的・生理学的メカニズム
BTZ043 is the first in a new class of antibiotics that kills all clinically relevant strains of Mycobacterium Tuberculosis, including multi-drug resistant strains, with minimal inhibitory concentrations (MIC) in the ng/ml range (MIC = 2.3 nM against M. tu
保管条件
Store at -20°C,Argon charged
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
等級
Moligand™
アクションタイプ
INHIBITOR
純度
≥99%
名前と識別子
| カノニカル・スマイル | CC1COC2(O1)CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-] |
|---|---|
| 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 |
| InChIKey | GTUIRORNXIOHQR-VIFPVBQESA-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/t9-/m0/s1 |
| 異性体SMILES | C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-] |
| 代替CAS番号 | 1161233-85-7 |
| MeSH用語 | 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;BTZ038;BTZ043 |
| 分子量 | 431.39 |
| 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.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| 分類 | 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 |
| 説明 | 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 |
3 D構造
インタラクティブ化学構造モデル
関連ターゲット（人間）
K562 (73714 Activities)
MCF7 (126967 Activities)
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A549 (127892 Activities)
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HEK293 (82097 Activities)
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HepG2 (196354 Activities)
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HUVEC (11049 Activities)
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HeLa (62764 Activities)
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|---|
Liver microsomes (16955 Activities)
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Liver (3974 Activities)
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関連ターゲット（非人間）
Pseudomonas aeruginosa (123386 Activities)
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Micrococcus luteus (7463 Activities)
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Staphylococcus aureus (210822 Activities)
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Acinetobacter baumannii (41033 Activities)
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Bacillus subtilis (32866 Activities)
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Mycolicibacterium fortuitum (1335 Activities)
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Mycobacterium kansasii (6484 Activities)
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Mycobacterium tuberculosis (203094 Activities)
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Mycobacterium marinum (465 Activities)
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Mycolicibacterium smegmatis (8003 Activities)
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Mus musculus (284745 Activities)
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Vero (26788 Activities)
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Mycolicibacterium aurum (354 Activities)
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Mycolicibacterium vaccae (371 Activities)
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Plasma (328 Activities)
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Mycobacterium tuberculosis variant bovis BCG (1626 Activities)
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作用メカニズム
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
| 分子量 | 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 | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
ソリューション計算機
レビュー
顧客レビュー
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