3,4-二甲氧基肉桂酸

8篇引用文献

COA

级别和纯度:

≥99%

CAS编号: 2316-26-9
分子式: C₁₁H₁₂O₄
分子量: 208.21
Beilstein号: 10(1)212
EC号: 219-025-5
MDL号: MFCD00004387
PubChem编号: 717531
PubChem SID: 488191226

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货号 (SKU)	包装规格	是否现货
D100558-5g	5g	现货
D100558-25g	25g	现货
D100558-100g	100g	现货
D100558-500g	500g	现货

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Anti-infection (2804) Glucose Metabolism (3713) Virus (3767) 病毒蛋白酶 (106) 羧酸 (2181) 羰基化合物 (2389)

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基本描述

别名	咖啡酸二甲醚
英文别名	3-(3,4-Dimethoxyphenyl)-2-propenoic acid, 9CI \| 3',4'-dimethoxycinnamic acid \| 3,4-DIMETHOXYCINNAMIC ACID \| 3,4-dimethoxy-cinnamic acid \| 7R-0613 \| CCG-38678 \| (E)-O-Methylferulic acid \| NCGC00095522-03 \| W-107420 \| BVZ841PVJL \| DTXSID501016475 \| HMS2268F
规格或纯度	≥99%
英文名称	3,4-Dimethoxycinnamic acid
运输条件	常规运输
纯度	≥99%

关联靶点（人）

VDR Tclin Vitamin D receptor (26531 活性数据)

点击查看靶蛋白信息： VDR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TYR Tclin Tyrosinase (717 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 活性数据)

点击查看靶蛋白信息： ALOX15

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HT-1080 (3966 活性数据)

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PANC-1 (6144 活性数据)

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U-937 (7138 活性数据)

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A549 (127892 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HeLa (62764 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 活性数据)

点击查看靶蛋白信息： KDM4E

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SMN1 Tchem Survival motor neuron protein (34246 活性数据)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 活性数据)

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GMNN Tbio Geminin (128009 活性数据)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 活性数据)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HepG2 2.2.15 (869 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Mapk1 MAP kinase ERK2 (650 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Klebsiella pneumoniae (43867 活性数据)

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Staphylococcus aureus (210822 活性数据)

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Escherichia coli (133304 活性数据)

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Enterococcus faecalis (29875 活性数据)

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Mus musculus (284745 活性数据)

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Hepatitis B virus (7925 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

RBL-2H3 (1162 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CCT2 T-complex protein 1 subunit beta (5007 活性数据)

点击查看靶蛋白信息： CCT2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

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

名称和识别符

PubChem SID	488191226
EC号	219-025-5
分子类型	小分子
IIUPAC Name	(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
INCHI	1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
InChi Key	HJBWJAPEBGSQPR-GQCTYLIASA-N
Smiles	COC1=C(C=C(C=C1)C=CC(=O)O)OC
Isomeric SMILES	COC1=C(C=C(C=C1)/C=C/C(=O)O)OC
分子量	208.21
Beilstein号	10(1)212
Reaxy-Rn	1533435
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1533435&ln=

化学和物理性质

密度	1.203
熔点	181-183°C
分子量	208.210 g/mol
XLogP3	1.800
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	4
可旋转键计数Rotatable Bond Count	4
精确质量Exact Mass	208.074 Da
单同位素质量Monoisotopic Mass	208.074 Da
拓扑极表面积Topological Polar Surface Area	55.800 Å²
重原子数Heavy Atom Count	15
形式电荷Formal Charge	0
复杂度Complexity	237.000
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	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

安全和危险性（GHS）

象形图	GHS07
信号词	警告
危险声明	H302: 吞食有害 H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激
预防措施声明	P261: 避免吸入灰尘/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。 P271: 仅在室外或通风良好的地方使用。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P321: 特殊处理（请参阅此标签上的...）。 P330: 漱口 P302+P352: 如皮肤沾染：用水充分清洗。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P405: 密闭存放 P403+P233: 存放在通风良好的地方。保持容器密闭。 P501: 将内容物/容器处理到。。。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P301+P317: 如果被吞咽：请寻求医疗帮助。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	3
个人防护装备	Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter

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批号(Lot Number)	证书类型	货号
F1820050	分析证书	D100558
F1820051	分析证书	D100558
B2224298	分析证书	D100558
B2224315	分析证书	D100558
B2225123	分析证书	D100558
C2330957	分析证书	D100558
C2330958	分析证书	D100558
C2330961	分析证书	D100558

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引用文献

1. B Zhou,X Meng. (1992-08-01) [Pharmacological study on Veronicastrum sibiricum (L.) Pennell].. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, 17 ((8)): (493-496). [PMID:1482539]
2. B Zhou,X Meng. (1992-01-01) [Chemical constituents of Veronicastrum sibiricum (L.) Pennell].. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica, 17 ((1)): (35-36). [PMID:1524664]
3. Thiago Nogueira,Claudimir Lucio do Lago. (2007-09-05) Determination of caffeine in coffee products by dynamic complexation with 3,4-dimethoxycinnamate and separation by CZE.. Electrophoresis, 28 ((19)): (3570-3574). [PMID:17768736]
4. Maher M El-Domiaty,Michael Wink,Mahmoud M Abdel Aal,Maged M Abou-Hashem,Rehab H Abd-Alla. (2009-03-28) Antihepatotoxic activity and chemical constituents of Buddleja asiatica Lour.. Zeitschrift fur Naturforschung. C, Journal of biosciences, 64 ((1-2)): (11-19). [PMID:19323260]
5. L Novácek,O Nováková,L Polásek,J Danĕk. (1990-05-01) [Preparation of derivatives of 3-(3,4-dimethoxyphenyl)propanic acid and a study of its biological activity].. Ceskoslovenska farmacie, 39 ((3)): (109-112). [PMID:2401012]
6. S Watanabe,S Sato,S Nagase,K Shimosato,T Saito. (1996-11-01) Polyamine levels in various tissues of rats treated with 3-hydroxy-4-methoxycinnamic acid and 3,4-dimethoxycinnamic acid.. Anti-cancer drugs, 7 ((8)): (866-872). [PMID:8991191]
7. Véronique Seidel,Jörg Windhövel,Graham Eaton,A Wilhelm Alfermann,Randolph R J Arroo,Manuel Medarde,Maike Petersen,Jack G Woolley. (2002-10-02) Biosynthesis of podophyllotoxin in Linum album cell cultures.. Planta, 215 ((6)): (1031-1039). [PMID:12355164]
8. Tracy L Farrell,Miren Gomez-Juaristi,Laure Poquet,Karine Redeuil,Kornél Nagy,Mathieu Renouf,Gary Williamson. (2012-08-07) Absorption of dimethoxycinnamic acid derivatives in vitro and pharmacokinetic profile in human plasma following coffee consumption.. Molecular nutrition & food research, 56 ((9)): (1413-1423). [PMID:22865606]
9. Xiaoxue Pan, Junyan Wei, Min Wang, Jie Zhang, Zhiming Xu, Haojie Wei, Nami Lai, Kainan Nian, Rui Zhang, Xuesheng Zhang. (2023) Comparative studies of transformation behaviors and mechanisms of halophenols in multiple chemical oxidative systems. SCIENCE OF THE TOTAL ENVIRONMENT, 870 (161756). [PMID:36690111] [10.1016/j.scitotenv.2023.161756]
10. Xijuan Tu, Fengjie Yu, Qian Jin, Chunping Du, Jiaxu Chen, Ji Yang, Yuchang He, Shaokang Huang, Wenbin Chen. (2022) A Simple High-Throughput Field Sample Preparation Method Based on Matrix-Induced Sugaring-Out for the Simultaneous Determination of 5-Hydroxymethylfurfural and Phenolic Compounds in Honey. MOLECULES, 27 (23): (8373). [PMID:36500464] [10.3390/molecules27238373]
11. Wenjie Yu, Fengjie Sun, Ruixin Xu, Meng Cui, Yongquan Liu, Quanyuan Xie, Limin Guo, Chenxian Kong, Xin Li, Xiali Guo, Liping Luo. (2023) Chemical composition and anti-inflammatory activities of Castanopsis honey. Food & Function, 14 (1): (250-261). [PMID:36484340] [10.1039/D2FO02233H]
12. Denghao Ouyang, Hongmei Chen, Nan Liu, Jingzhi Zhang, Xuebing Zhao. (2022) Insight into the negative effects of lignin on enzymatic hydrolysis of cellulose for biofuel production via selective oxidative delignification and inhibitive actions of phenolic model compounds. RENEWABLE ENERGY, 185 (196). [10.1016/j.renene.2021.12.036]
13. Fengjie Yu, Jianing Zhang, Yunmin Tao, Chunping Du, Wenchao Yang, Wenbin Chen, Xijuan Tu. (2021) High-throughput subzero-temperature assisted homogenous liquid-liquid extraction for the fast sample preparation of multiple phenolic compounds in propolis. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 1179 (122823). [PMID:34147873] [10.1016/j.jchromb.2021.122823]
14. Houmei Liu, Zhan Li, Makoto Takafuji, Hirotaka Ihara, Hongdeng Qiu. (2017) Octadecylimidazolium ionic liquid-modified magnetic materials: Preparation, adsorption evaluation and their excellent application for honey and cinnamon. FOOD CHEMISTRY, 229 (208). [PMID:28372166] [10.1016/j.foodchem.2017.02.080]
15. Houmei Liu, Xiaojing Liang, Xusheng Wang, Yong Guo, Xia Liu. (2014) Polyelectrolyte assembled graphene oxide coated silica composite as sorbent for solid-phase extraction of cinnamic acid and its derivatives. RSC Advances, 5 (6): (4420-4427). [10.1039/C4RA13331E]
16. Peiliang Xiao, Suoqin Zhang, Huayu Ma, Aijun Zhang, Xiaoli Lv, Liangyu Zheng. (2013) Stereoselective synthesis of caffeic acid amides via enzyme-catalyzed asymmetric aminolysis reaction. JOURNAL OF BIOTECHNOLOGY, 168 (552). [PMID:24056082] [10.1016/j.jbiotec.2013.09.004]

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