OP-0595,具有对A和Cβ-内酰胺酶活性的非β-内酰胺-β-内酰胺酶的抑制剂

级别和纯度:

Moligand™

有货

关闭

货号 (SKU)	包装规格	是否现货	价格	数量
O174273-100mg	100mg	期货

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Bacterial (5911)

基本描述

英文别名	(1R,2S,5R)-2-((2-Aminoethoxy)carbamoyl)-7-oxo- 1,6-diazabicyclo(3.2.1)octan-6-yl hydrogen sulfate \| RSBPYSTVZQAADE-RQJHMYQMSA-N \| Sulfuric acid, mono((1R,2S,5R)-2-(((2-aminoethoxy)amino)carbonyl)-7-oxo-1,6-diazabicyclo(3.2.1)oct-6-yl) ester \| Sulfuric aci
规格或纯度	Moligand™, ≥97%
英文名称	OP-0595
储存温度	室温
运输条件	常规运输
纯度	≥97%

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

分子类型	小分子
IIUPAC Name	[(2S,5R)-2-(2-aminoethoxycarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
INCHI	1S/C9H16N4O7S/c10-3-4-19-11-8(14)7-2-1-6-5-12(7)9(15)13(6)20-21(16,17)18/h6-7H,1-5,10H2,(H,11,14)(H,16,17,18)/t6-,7+/m1/s1
InChi Key	RSBPYSTVZQAADE-RQJHMYQMSA-N
Smiles	C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)NOCCN
Isomeric SMILES	C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NOCCN
分子量	324.311
Reaxy-Rn	31789534
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31789534&ln=

分子量	324.310 g/mol
XLogP3	-4.600
氢键供体数Hydrogen Bond Donor Count	3
氢键受体数Hydrogen Bond Acceptor Count	8
可旋转键计数Rotatable Bond Count	6
精确质量Exact Mass	324.074 Da
单同位素质量Monoisotopic Mass	324.074 Da
拓扑极表面积Topological Polar Surface Area	160.000 Å²
重原子数Heavy Atom Count	21
形式电荷Formal Charge	0
复杂度Complexity	519.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	2
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

象形图	GHS07
信号词	警告
危险声明	H302: 吞食有害
预防措施声明	P264: 处理后要彻底洗手。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P330: 漱口 P501: 将内容物/容器处理到。。。 P301+P317: 如果被吞咽：请寻求医疗帮助。

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

1. Monogue ML, Giovagnoli S, Bissantz C, Zampaloni C, Nicolau DP. (2018) In Vivo Efficacy of Meropenem with a Novel Non-β-Lactam-β-Lactamase Inhibitor, Nacubactam, against Gram-Negative Organisms Exhibiting Various Resistance Mechanisms in a Murine Complicated Urinary Tract Infection Model.. Antimicrob Agents Chemother, 62 (9): [PMID:30012751]
2. Mushtaq S, Vickers A, Woodford N, Haldimann A, Livermore DM. (2019) Activity of nacubactam (RG6080/OP0595) combinations against MBL-producing Enterobacteriaceae.. J Antimicrob Chemother, 74 (4): (953-960). [PMID:30590470]
3. Kaushik A, Ammerman NC, Parrish NM, Nuermberger EL. (2019) New β-Lactamase Inhibitors Nacubactam and Zidebactam Improve the In Vitro Activity of β-Lactam Antibiotics against Mycobacterium abscessus Complex Clinical Isolates.. Antimicrob Agents Chemother, 63 (9): [PMID:31209013] [10.1128/AAC.00733-19]