双香豆素, 维生素 K 环氧化物还原酶复合物亚基 1 的抑制剂

7篇引用文献

COA

级别和纯度:

Moligand™

≥98%

CAS编号: 66-76-2
分子式: C₁₉H₁₂O₆
分子量: 336.3
PubChem编号: 54676038
PubChem SID: 488201684

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货号 (SKU)	包装规格	是否现货
D155113-1g	1g	现货
D155113-5g	5g	现货
D155113-25g	25g	现货

查看相关系列

Metabolic Enzyme/Protease (4889) PDHK (17) vitamin K epoxide reductase complex subunit 1 Inhibitor (5) 脂质代谢 (4331)

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基本描述

别名	败坏翘摇素
英文别名	2H-1-Benzopyran-2-one, 3,3'-methylenebis(4-hydroxy- \| Di-4-hydroxy-3,3'-methylenedicoumarin \| Temparin \| 3,3'-Methylenebis[4-hydroxy-1,2-benzopyrone] \| Kumoran \| Acadyl \| NSC41834 \| NSC-41834 \| 2H-1-Benzopyran-2-one, 3,3'-methylenebis(4-hydroxy)- \| BB 021
规格或纯度	Moligand™, ≥98%
英文名称	Dicoumarol
应用	Prototype of the 4-hydroxycoumarin class of anticoagulants, which act as vitamin K antagonists, preventing formation of prothrombin. There are many reports that dicumarol also inhibits NADPH:quinone oxidoreductase (NQO(1)). In one, it inhibited NQO(1) in a pancreatic cancer cell line, causing increased formation of superoxide and inhibiting cell growth.
运输条件	常规运输
作用类型	抑制剂
作用机制	维生素 K 环氧化物还原酶复合物亚基 1 的抑制剂
产品介绍	Prototype of the 4-hydroxycoumarin class of anticoagulants, which act as vitamin K antagonists, preventing formation of prothrombin. There are many reports that dicumarol also inhibits NADPH:quinone oxidoreductase (NQO(1)). In one, it inhibited NQO(1) in a pancreatic cancer cell line, causing increased formation of superoxide and inhibiting cell growth. Prototype of the 4-hydroxycoumarin class of anticoagulants, which act as vitamin K antagonists, preventing formation of prothrombin. There are many reports that dicumarol also inhibits NADPH:quinone oxidoreductase (NQO(1)). In one, it inhibited NQO(1) in a pancreatic cancer cell line, causing increased formation of superoxide and inhibiting cell growth.
纯度	≥98%

关联靶点（人）

GPR35 Tchem G蛋白偶联受体35(G-protein coupled receptor 35) (1 活性数据)

点击查看靶蛋白信息： GPR35

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

CYP2C9 Tchem 细胞色素 P450 2C9(Cytochrome P450 2C9) (3 活性数据)

点击查看靶蛋白信息： CYP2C9

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

VKORC1 Tclin 维生素 K 环氧化物还原酶复合物亚基 1(Vitamin K epoxide reductase complex subunit 1) (0 活性数据)

点击查看靶蛋白信息： VKORC1

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

NQO1 Tchem NAD(P)H脱氢酶[醌]1(NAD(P)H dehydrogenase [quinone] 1) (6 活性数据)

点击查看靶蛋白信息： NQO1

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

名称和识别符

PubChem SID	488201684
分子类型	小分子
IIUPAC Name	4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
INCHI	1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
InChi Key	DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
Isomeric SMILES	C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
UN Number	3077
Packing Group	III
分子量	336.3
Reaxy-Rn	335444
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=335444&ln=

化学和物理性质

分子量	336.300 g/mol
XLogP3	2.600
氢键供体数Hydrogen Bond Donor Count	2
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	336.063 Da
单同位素质量Monoisotopic Mass	336.063 Da
拓扑极表面积Topological Polar Surface Area	93.100 Å²
重原子数Heavy Atom Count	25
形式电荷Formal Charge	0
复杂度Complexity	605.000
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	0
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

安全和危险性（GHS）

象形图	GHS07, GHS08, GHS09
信号词	危险
危险声明	H302: 吞食有害 H372: 通过长时间或反复暴露对器官造成损害 H411: 对水生生物有毒并具有长期持续影响
预防措施声明	P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 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。 P273: 避免释放到环境中。 P330: 漱口 P391: 收集溢出物 P501: 将内容物/容器处理到。。。 P301+P317: 如果被吞咽：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。
Class	9

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找到7个结果

批号(Lot Number)	证书类型	货号
L2115525	分析证书	D155113
L2115527	分析证书	D155113
H2522142	分析证书	D155113
F2328233	分析证书	D155113
F2328239	分析证书	D155113
A2405056	分析证书	D155113
A2507029	分析证书	D155113

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引用文献

1. Yamei Ma, Zhen Zhang, Shengchao Gao, Yue Zhan, Zihao Wei, Ying Liu. (2023) The efficient Congo red decolorization coupled with electricity generation via G. sulfurreducens based on microbial fuel cells. Journal of Environmental Chemical Engineering, 11 (111296). [10.1016/j.jece.2023.111296]
2. Xing Yan, Ming-Jun Zhu. (2023) Enhanced bioelectricity generation in thermophilic microbial fuel cell with lignocellulose as an electron donor by resazurin-mediated electron transfer. BIORESOURCE TECHNOLOGY, 388 (129764). [PMID:37722540] [10.1016/j.biortech.2023.129764]
3. Yanhao Li, Chengfang Hu, Bo Hu, Jian Tian, Gang Zhao, Chuandong Cai, Yuange Li, Zhenyu Sun, Shuo Wang, Sa Pang, Rong Bao, Zaijing Tao, Huajiang Chen, Jinglei Wu, Shen Liu. (2023) Sustained Release of Dicumarol via Novel Grafted Polymer in Electrospun Nanofiber Membrane for Treatment of Peritendinous Adhesion. Advanced Healthcare Materials, 12 (15): (2203078). [PMID:36864645] [10.1002/adhm.202203078]
4. Yi-Xuan Fu, Wu-Yingzheng Guo, Nan Wang, Yi-Jie Dai, Zi-Ye Zhang, Xin-Lin Sun, Wen-Chao Yang, Guang-Fu Yang. (2022) Diagnosis of Bacterial Plant Diseases via a Nitroreductase-Activated Fluorescent Sensor. ANALYTICAL CHEMISTRY, 94 (50): (17692–17699). [PMID:36469707] [10.1021/acs.analchem.2c04614]
5. Xianghan Zhang, Zhiqing Gao, Yuqiong Xia, Qunyan Dong, Yutian Cao, Qian Jia, Fang Sun, Zheng Li, Chu Tang, Jie Yu. (2022) Insight into the spatial interaction of D-π-A bridge derived cyanines and nitroreductase for fluorescent cancer hypoxia detection. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 273 (121031). [PMID:35189489] [10.1016/j.saa.2022.121031]
6. Bingfeng Liang, Dangxia Zhou. (2021) ROS-Activated homodimeric podophyllotoxin nanomedicine with self-accelerating drug release for efficient cancer eradication. DRUG DELIVERY, 28 (1): (2361-2372). [PMID:34747277] [10.1080/10717544.2021.1995076]
7. Wenjie Ge, Xian Zhang, Qing Wang, Jianjie Mao, Pengfei Jia, Jianping Cai. (2024) Dicoumarol attenuates NLRP3 inflammasome activation to inhibit inflammation and fibrosis in knee osteoarthritis. Molecular Medicine Reports, 29 (6): (1-11). [PMID:38639180] [10.3892/mmr.2024.13224]

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