BLI-489 free acid

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货号 (SKU)	包装规格	是否现货	价格	数量
B608106-5mg	5mg	期货
B608106-25mg	25mg	期货

基本描述

别名	BLI-489 游离酸
英文别名	4-Thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((5,6-dihydro-8H-imidazo(2,1-c)(1,4)oxazin-2-yl)methylene)-7-oxo-, (5R,6Z)- \| GTPL10995 \| SCHEMBL3549034 \| UNII-156B510BCG \| BLI489 \| (5R,6Z)-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyli
规格或纯度	Moligand™
英文名称	BLI-489 free acid

分子类型	小分子
IUPAC Name	(5R,6Z)-6-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethylidene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
INCHI	InChI=1S/C13H11N3O4S/c17-11-8(12-16(11)9(6-21-12)13(18)19)3-7-4-15-1-2-20-5-10(15)14-7/h3-4,6,12H,1-2,5H2,(H,18,19)/b8-3-/t12-/m1/s1
InChi Key	DMEYZPJEFHGESJ-CPWLGJMPSA-N
Canonical SMILES	O=C1/C(=C/c2cn3c(n2)COCC3)/[C@@H]2N1C(=CS2)C(=O)O
Isomeric SMILES	C1COCC2=NC(=CN21)/C=C/3\[C@@H]4N(C3=O)C(=CS4)C(=O)O
PubChem CID	9972353

分子量	305.310 g/mol
XLogP3	-0.800
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	6
可旋转键计数Rotatable Bond Count	2
精确质量Exact Mass	305.047 Da
单同位素质量Monoisotopic Mass	305.047 Da
拓扑极表面积Topological Polar Surface Area	110.000 Å²
重原子数Heavy Atom Count	21
形式电荷Formal Charge	0
复杂度Complexity	576.000
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	1
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	1
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	1
共价键合单元计数Covalently-Bonded Unit Count	1

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

输入批号以搜索分析图谱:

1. Petersen PJ, Jones CH, Venkatesan AM, Mansour TS, Projan SJ, Bradford PA. (2009) Establishment of in vitro susceptibility testing methodologies and comparative activities of piperacillin in combination with the penem {beta}-lactamase inhibitor BLI-489.. Antimicrob Agents Chemother, 53 (2): (370-84). [PMID:19001109]