STREPTONIGRIN METHYL ESTER

• 常用名: STREPTONIGRIN METHYL ESTER
• 英文名: STREPTONIGRIN METHYL ESTER
• CAS号: 3398-48-9
• 分子量: 520.49100
• 密度: 1.47g/cm3
• 沸点: 760.9ºC at 760 mmHg
• 分子式: C₂₆H₂₄N₄O₈
• 熔点: N/A
• 闪点: 413.9ºC

STREPTONIGRIN METHYL ESTER名称

• 英文名: methyl (4Z)-5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-3-methyl-1H-pyridine-2-carboxylate

STREPTONIGRIN METHYL ESTER物理化学性质

• 密度: 1.47g/cm3
• 沸点: 760.9ºC at 760 mmHg
• 分子式: C₂₆H₂₄N₄O₈
• 分子量: 520.49100
• 闪点: 413.9ºC
• 精确质量: 520.15900
• PSA: 186.18000
• LogP: 3.68780
• InChIKey: HKZHTIOXLTVSKR-UHFFFAOYSA-N
• SMILES: COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)c(N)c(-c2ccc(OC)c(OC)c2O)c1C
• 折射率: 1.666
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.8

  2.氢键供体数量:3

  3.氢键受体数量:12

  4.可旋转化学键数量:6

  5.互变异构体数量:645

  6.拓扑分子极性表面积:182

  7.重原子数量:38

  8.表面电荷:0

  9.复杂度:1330

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:1

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

STREPTONIGRIN METHYL ESTER毒性和生态

STREPTONIGRIN METHYL ESTER靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：Antimicrobial activity was determined against Staphylococcus aureus ATCC 13709 来源：ChEMBL 靶标：Staphylococcus aureus External Id：CHEMBL809552

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ... 来源：ChEMBL 靶标：Klebsiella pneumoniae External Id：CHEMBL4296186

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Cytotoxicity against mouse lymphoblastic leukemia cell culture (L-1210) 来源：ChEMBL 靶标：L1210 External Id：CHEMBL702599

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

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STREPTONIGRIN METHYL ESTER英文别名

• STREPTONIGRIN METHYL ESTER
• methyl 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinate
• Methyl ester streptonigrin
• Methyl streptonigrin
• MES (VAN)