1161233-85-7|BTZ043|BTZ043|MFCD17215196-范德生物科技公司

BTZ043

NMR下载 COA and HPLC MSDS下载
names：
BTZ043
CAS号：
1161233-85-7
MDL Number： MFCD17215196
MF(分子式)： C17H16F3N3O5S MW(分子量)： 431.39
EINECS: Reaxys Number:
Pubchem ID:42609849 Brand:BIOFOUNT

BTZ043(1161233-85-7)是DprE1的抑制剂，它对结核分枝杆菌H37Rv（M. tuberculosis H37Rv）和耻垢分枝杆菌（Mycobacterium smegmatis ）的MIC值分别为2.3 nM和9.2 nM。

货品编码	规格	纯度	价格 (¥)	现价(¥)	特价(¥)	库存描述	数量	总计 (¥)
HCC302767-5mg	5mg	97%	¥ 1064.00	¥ 1064.00		4-7周	- +	¥ 0.00

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中文别名	BTZ043(1161233-85-7);2-（2-甲基-1,4-二氧杂-8-氮杂螺（4.5）癸-8-基）-8-硝基-6-（三氟甲基）-4H-1,3-苯并噻嗪-4-酮;BTZ 043;BTZ038;BTZ043;
英文别名	BTZ0431161233-85-7);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;
CAS号	1161233-85-7
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
InchiKey	GTUIRORNXIOHQR-VIFPVBQESA-N
分子式 Formula	C17H16F3N3O5S
分子量 Molecular Weight	431.39
溶解度Solubility	生物体外In Vitro:DMSO溶解度13.3 mg/mL(30.83 mM;Need ultrasonic and warming)H2O< 0.1 mg/mL(insoluble)
性状	固体粉末
储藏条件 Storage conditions	-20°C Freezer

BTZ043(1161233-85-7)实验注意事项：
1.实验前需戴好防护眼镜，穿戴防护服和口罩，佩戴手套，避免与皮肤接触。
2.实验过程中如遇到有毒或者刺激性物质及有害物质产生，必要时实验操作需要手套箱内完成以免对实验人员造成伤害
3.实验后产生的废弃物需分类存储，并交于专业生物废气物处理公司处理，以免造成环境污染。
Experimental considerations:
1. Wear protective glasses, protective clothing and masks, gloves, and avoid contact with the skin during the experiment.
7605. The waste generated after the experiment needs to be stored separately, and handed over to a professional biological waste gas treatment company to avoid environmental pollution.

Tags:BTZ043试剂,BTZ043杂质,BTZ043中间体,BTZ043合成,BTZ043密度,BTZ043中间体,BTZ043溶解度,BTZ043旋光度,BTZ043闪点,BTZ043购买,

产品说明	BTZ043(1161233-85-7)可以作为药物杂质对照品以及生物医药类试剂。
Introduction	(1161233-85-7)BTZ043 can be used as a reference substance for drug impurities and reagents，only for research.
Application1
Application2
Application3

BTZ043(1161233-85-7)药理学：

1、BTZ043是新型抗结核药物候选药2- [2-S-甲基-1,4-二恶唑-8-氮杂] [4.5] dec-8-基] -8-硝基-6-（三氟甲基）-4H-1,3-苯并噻嗪-4-one（BTZ043）靶向脱癸烯基磷酸基-β-d-核糖2'-表异构酶的DprE1（Rv3790）亚基。为了监测苯并噻嗪酮（BTZ）耐药性的潜在发展，调查了来自四家欧洲医院的共240例敏感且具有多重耐药性的结核分枝杆菌临床分离株的dprE1基因突变和BTZ敏感性。所有240株均易感，因此在将BTZ043引入临床试验之前就建立了基线。

警示图
危险性	warning
危险性警示	Not available
安全声明	H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
安全防护	P264处理后彻底清洗+P280戴防护手套/穿防护服/戴防护眼罩/戴防护面具+P305如果进入眼睛+P351用水小心冲洗几分钟+P338取出隐形眼镜（如果有）并且易于操作,继续冲洗+P337如果眼睛刺激持续+P313获得医疗建议/护理
备注	BTZ043实验过程中防止吸入、食入，做好安全防护

Vadim Makarov et al. The 8-Pyrrole-Benzothiazinones Are Noncovalent Inhibitors of DprE1 fromMycobacterium tuberculosis. Antimicrob Agents Chemother, 2015 Aug, 59(8): 4446-4452.

Makarov V, et al. Benzothiazinones kill Mycobacterium tuberculosis by blocking arabinan synthesis. Science. 2009 May 8;324(5928):801-4.

Norma Alejandra González-Martínez et al. In Vivo Activity of the Benzothiazinones PBTZ169 and BTZ043 against Nocardia brasiliensis. PLoS Negl Trop Dis, 2015 Oct, 9(10): e0004022.

Deuteration of BTZ043 Extends the Lifetime of Meisenheimer Intermediates to the Antituberculosis Nitroso Oxidation State PMID 31620234; ACS medicinal chemistry letters 2019 Oct; 10(10):1462-1466 Name

Thiolates chemically induce redox activation of BTZ043 and related potent nitroaromatic anti-tuberculosis agents PMID 23402278; Journal of the American Chemical Society 2013 Mar; 135(9):3539-49 Name m

BTZ043(1161233-85-7)参考文献：

1.Tuberculosis: clinical trials and new drug regimens.
Kwon YS1, Jeong BH, Koh WJ. Curr Opin Pulm Med. 2014 May;20(3):280-6. doi: 10.1097/MCP.0000000000000045.

PURPOSE OF REVIEW: Recent advances in the development of new drugs and regimens provide hope that well tolerated, effective, and shorter-duration treatments for tuberculosis (TB) will become available. This review covers the recent trials of new TB drugs and regimens.

2.In Vivo Activity of the Benzothiazinones PBTZ169 and BTZ043 against Nocardia brasiliensis.
González-Martínez NA1, Lozano-Garza HG2, Castro-Garza J2, De Osio-Cortez A1, Vargas-Villarreal J2, Cavazos-Rocha N3, Ocampo-Candiani J1, Makarov V4, Cole ST5, Vera-Cabrera L1. PLoS Negl Trop Dis. 2015 Oct 16;9(10):e0004022. doi: 10.1371/journal.pntd.0004022. eCollection 2015.

BACKGROUND: Mycetoma is a neglected, chronic, and deforming infectious disease caused by fungi and actinomycetes. In Mexico, N. brasiliensis is the predominant etiologic agent. Therapeutic alternatives are necessary because the current drug regimens have several disadvantages. Benzothiazinones (BTZ) are a new class of candidate drugs that inhibit decaprenyl-phosphoribose-epimerase (DprE1), an essential enzyme involved in the cell wall biosynthesis of Corynebacterineae.

3.Structure, dynamics, and interaction of Mycobacterium tuberculosis (Mtb) DprE1 and DprE2 examined by molecular modeling, simulation, and electrostatic studies.
Bhutani I1, Loharch S1, Gupta P1, Madathil R1, Parkesh R1. PLoS One. 2015 Mar 19;10(3):e0119771. doi: 10.1371/journal.pone.0119771. eCollection 2015.

The enzymes decaprenylphosphoryl-β-D-ribose oxidase (DprE1) and decaprenylphosphoryl-β-D-ribose-2-epimerase (DprE2) catalyze epimerization of decaprenylphosporyl ribose (DPR) todecaprenylphosporyl arabinose (DPA) and are critical for the survival of Mtb. Crystal structures of DprE1 so far reported display significant disordered regions and no structural information is known for DprE2. We used homology modeling, protein threading, molecular docking and dynamics studies to investigate the structural and dynamic features of Mtb DprE1 and DprE2 and DprE1-DprE2 complex. A three-dimensional model for DprE2 was generated using the threading approach coupled with ab initio modeling. A 50 ns simulation of DprE1 and DprE2 revealed the overall stability of the structures. Principal Component Analysis (PCA) demonstrated the convergence of sampling in both DprE1 and DprE2. In DprE1, residues in the 269-330 area showed considerable fluctuation in agreement with the regions of disorder observed in the reported crystal structures.

4.Design and Syntheses of Anti-Tuberculosis Agents Inspired by BTZ043 Using a Scaffold Simplification Strategy.
Tiwari R1, Möllmann U2, Cho S3, Franzblau SG3, Miller PA1, Miller MJ1. ACS Med Chem Lett. 2014 Mar 3;5(5):587-91. doi: 10.1021/ml500039g. eCollection 2014.

Tuberculosis (TB), a disease caused by Mycobacterium tuberculosis (Mtb), is a global public health concern because of the emergence of various resistant strains. Benzothiazin-4-ones (BTZs), represented by BTZ043, are a promising new class of agents for the treatment of tuberculosis and have been shown to kill Mtb in vitro, ex vivo, and in mouse models of TB. Herein we report the design and syntheses of nitroaromatic sulfonamide, reverse-amide, and ester classes of anti-TB agents using a scaffold simplification strategy based on BTZ043. The presented work explores the effect of functional groups such as sulfonamides, reverse-amides, and esters that are attached to the nitroaromatic rings on their anti-TB activity. The in vitro activity of the compounds evaluated against the H37Rv strain of Mtb show that nitroaromatic sulfonamides and nitrobenzoic acid esters with two nitro substituents were most active and highlights the importance of the electronic character (electron deficient aromatic ring) of the nitroaromatic ring as a central theme in these types of nitroaromatic anti-TB agents.

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