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二氢香豆素

    级别和纯度:
  • ≥99%
有货

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货号 (SKU) 包装规格 是否现货 价格 数量
D107582-25g
25g 现货 Stock Image
D107582-100g
100g 现货 Stock Image
D107582-500g
500g 现货 Stock Image
D107582-2.5kg
2.5kg 现货 Stock Image

基本描述

别名 二羟基香豆素 | 1,2-苯并二氢吡喃酮 | 苯并二氢吡喃酮 | 氢化肉桂酸内酯
英文别名 2,3-dihydrocoumarin | 3,4-dihydrocoumarin | Dihydrocoumarin, 99% | InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H | Oxochroman | BRN 0004584 | FT-0614320 | melilotic lactone | MELILOTIN [HSDB] | SMR000112325 | CHEBI:16151 | VS-08570 | CAS-119-84-6
规格或纯度 ≥99%
英文名称 Dihydrocoumarin
运输条件 常规运输
纯度 ≥99%

关联靶点(人)

PON1 Tbio Serum paraoxonase/arylesterase 1 (96 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
A498 (42825 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ACHN (49357 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CAKI-1 (44928 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CCRF-CEM (65223 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
COLO 205 (50209 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DU-145 (51482 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HL-60 (67320 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HT-29 (80576 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
K562 (73714 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KM12 (47707 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MCF7 (126967 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MOLT-4 (49676 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OVCAR-3 (48710 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OVCAR-4 (44535 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OVCAR-5 (45555 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OVCAR-8 (47708 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PC-3 (62116 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
RPMI-8226 (44974 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
RXF 393 (41971 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SF-295 (48000 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SK-MEL-2 (46422 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SK-MEL-28 (48833 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SK-OV-3 (52876 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SN12C (47755 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SNB-19 (46794 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TK-10 (45540 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
U-251 (51189 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
UACC-257 (46019 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
UACC-62 (47335 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
UO-31 (46270 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
786-0 (47912 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NCI/ADR-RES (33767 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
T47D (39041 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EKVX (44102 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NCI-H322M (45589 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HCC 2998 (41480 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HCT-116 (91556 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HOP-92 (41141 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hs-578T (29457 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HepG2 (196354 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NCI-H460 (60772 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SF-268 (49410 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
IGROV-1 (47897 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
LOX IMVI (44321 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HOP-62 (47048 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MDA-MB-435 (38290 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MDA-N (28205 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Malme-3M (44254 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MDA-MB-231 (73002 活性数据)
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)

SIR2 NAD-dependent histone deacetylase SIR2 (218 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 活性数据)
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 488179537
EC号 204-354-9
分子类型 小分子
IIUPAC Name 3,4-dihydrochromen-2-one
INCHI 1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChi Key VMUXSMXIQBNMGZ-UHFFFAOYSA-N
Smiles C1CC(=O)OC2=CC=CC=C21
Isomeric SMILES C1CC(=O)OC2=CC=CC=C21
分子量 148.16
Beilstein号 17315
Reaxy-Rn 4584
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4584&ln=

化学和物理性质

密度 1.169
凝固点 22 °C
折光率 1.556
闪点(℉) 235.4 °F
闪点(℃) 113 °C
沸点 272 °C
熔点 24-25°C
分子量 148.160 g/mol
XLogP3 1.600
氢键供体数Hydrogen Bond Donor Count 0
氢键受体数Hydrogen Bond Acceptor Count 2
可旋转键计数Rotatable Bond Count 0
精确质量Exact Mass 148.052 Da
单同位素质量Monoisotopic Mass 148.052 Da
拓扑极表面积Topological Polar Surface Area 26.300 Ų
重原子数Heavy Atom Count 11
形式电荷Formal Charge 0
复杂度Complexity 165.000
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
信号词 警告
危险声明

H302: 吞食有害

H317: 可能引起皮肤过敏反应

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。

P272: 被污染的工作服不允许离开工作场所

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。

P333+P313: 如发生皮肤刺激或皮疹:求医/就诊。

P362+P364: 脱掉沾污的衣服,清洗后方可重新使用。

P501: 将内容物/容器处理到。。。

P301+P317: 如果被吞咽:请寻求医疗帮助。

WGK Germany 3
RTECS MW5775000
个人防护装备 Eyeshields,Faceshields,full-face respirator (US),Gloves,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
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找到9个结果

批号(Lot Number) 证书类型 货号
D2429203 分析证书 D107582
D2429201 分析证书 D107582
D2429202 分析证书 D107582
K1520261 分析证书 D107582
B2310241 分析证书 D107582
B2310242 分析证书 D107582
K2208395 分析证书 D107582
K2208451 分析证书 D107582
G1809121 分析证书 D107582

此产品的引用文献

引用文献

1. J P Guillot,J F Gonnet.  (1985-01-01)  The epicutaneous maximization test..  Current problems in dermatology,  14  (220-247).  [PMID:4064747]
2. J P Guillot,J F Gonnet,C Clément,J M Faccini.  (1983-12-01)  Comparative study of methods chosen by the Association Française de Normalisation (AFNOR) for evaluating sensitizing potential in the albino guinea-pig..  Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association,  21  ((6)): (795-805).  [PMID:6686585]
3. F N Marzulli,H I Maibach.  (1980-01-01)  Further studies of effects of vehicles and elicitation concentration in experimental contact sensitization testing in humans..  Contact dermatitis,  ((2)): (131-133).  [PMID:7398265]
4. S C Rastogi,J D Johansen,T Menné.  (1996-06-01)  Natural ingredients based cosmetics. Content of selected fragrance sensitizers..  Contact dermatitis,  34  ((6)): (423-426).  [PMID:8879930]
5. Katrin Häser,Hans Henning Wenk,Wilfried Schwab.  (2006-08-17)  Biocatalytic production of dihydrocoumarin from coumarin by Saccharomyces cerevisiae..  Journal of agricultural and food chemistry,  54  ((17)): (6236-6240).  [PMID:16910713]
6. Ahmad Shaabani,Ebrahim Soleimani,Ali Hossein Rezayan,Afshin Sarvary,Hamid Reza Khavasi.  (2008-05-28)  Novel isocyanide-based four-component reaction: a facile synthesis of fully substituted 3,4-dihydrocoumarin derivatives..  Organic letters,  10  ((12)): (2581-2584).  [PMID:18503292]
7. Tomohiro Doura,Hiroshi Nonaka,Shinsuke Sando.  (2011-05-18)  Atom arrangement strategy for designing a turn-on 1H magnetic resonance probe: a dual activatable probe for multimodal detection of hypochlorite..  Chemical communications (Cambridge, England),  48  ((10)): (1565-1567).  [PMID:21584328]
8. Thi Dieu Huyen Nguyen,Marco Maschietti,Lars-Erik Åmand,Lennart Vamling,Lars Olausson,Sven-Ingvar Andersson,Hans Theliander.  (2014-08-20)  The effect of temperature on the catalytic conversion of Kraft lignin using near-critical water..  Bioresource technology,  170  (196-203).  [PMID:25137090]
9. Mohammad Parsanejad,Noam Bourquard,Dianbo Qu,Yi Zhang,En Huang,Maxime W C Rousseaux,Hossein Aleyasin,Isabella Irrcher,Steve Callaghan,Dominique C Vaillant,Raymond H Kim,Ruth S Slack,Tak W Mak,Srinivasa T Reddy,Daniel Figeys,David S Park.  (2014-09-12)  DJ-1 interacts with and regulates paraoxonase-2, an enzyme critical for neuronal survival in response to oxidative stress..  PloS one,  ((9)): (e106601-e106601).  [PMID:25210784]
10. Fadi M Awadallah,Tamer A El-Waei,Mona M Hanna,Safinaz E Abbas,Mariangela Ceruso,Beyza Ecem Oz,Ozen Ozensoy Guler,Claudiu T Supuran.  (2015-04-29)  Synthesis, carbonic anhydrase inhibition and cytotoxic activity of novel chromone-based sulfonamide derivatives..  European journal of medicinal chemistry,  96  (425-435).  [PMID:25912674]
11. S L Born,A S Fix,D Caudill,L D Lehman-McKeeman.  (1998-08-26)  Selective Clara cell injury in mouse lung following acute administration of coumarin..  Toxicology and applied pharmacology,  151  ((1)): (45-56).  [PMID:9705886]
12. M Kataoka,K Honda,S Shimizu.  (1999-12-22)  3,4-Dihydrocoumarin hydrolase with haloperoxidase activity from Acinetobacter calcoaceticus F46..  European journal of biochemistry,  267  ((1)): (3-10).  [PMID:10601844]
13. Andrew J Olaharski,Jasper Rine,Brett L Marshall,Joshua Babiarz,Luoping Zhang,Eric Verdin,Martyn T Smith.  (2005-12-20)  The flavoring agent dihydrocoumarin reverses epigenetic silencing and inhibits sirtuin deacetylases..  PLoS genetics,  ((6)): (e77-e77).  [PMID:16362078]
14. Sharona Shachan-Tov,Michal Afri,Aryeh A Frimer.  (2010-08-31)  A reinvestigation of the reaction of coumarins with superoxide in the liposomal bilayer: correlation between depth and reactivity..  Free radical biology & medicine,  49  ((10)): (1516-1521).  [PMID:20801211]
15. Jie Chen,Ling Zhou,Chong Kiat Tan,Ying-Yeung Yeung.  (2011-12-20)  An enantioselective approach toward 3,4-dihydroisocoumarin through the bromocyclization of styrene-type carboxylic acids..  The Journal of organic chemistry,  77  ((2)): (999-1009).  [PMID:22175914]
16. Shiyong Peng,Lei Wang,Haibing Guo,Shaofa Sun,Jian Wang.  (2012-03-01)  Facile synthesis of 4-substituted 3,4-dihydrocoumarins via an organocatalytic double decarboxylation process..  Organic & biomolecular chemistry,  10  ((13)): (2537-2541).  [PMID:22366754]
17. Jakub Modranka,Anna Albrecht,Rafał Jakubowski,Henryk Krawczyk,Marek Różalski,Urszula Krajewska,Anna Janecka,Anna Wyrębska,Barbara Różalska,Tomasz Janecki.  (2012-07-14)  Synthesis and biological evaluation of α-methylidene-δ-lactones with 3,4-dihydrocoumarin skeleton..  Bioorganic & medicinal chemistry,  20  ((16)): (5017-5026).  [PMID:22789709]
18. Kemal Durić,Elvira E Kovac Besovic,Haris Niksic,Samija Muratovic,Emin Sofic.  (2015-06-05)  Anticoagulant activity of some Artemisia dracunculus leaf extracts..  Bosnian journal of basic medical sciences,  15  ((2)): (9-14).  [PMID:26042507]
19. Yin Lu, Nan Li, Yaliang Peng, Mohamed Gamal Mohamed, Shiao-Wei Kuo, Kan Zhang.  (2024)  Facile and eco-friendly synthesis of hydrogen bonding-rich bio-based bisbenzoxazine resins with low surface free energy, strong adhesion strength and high thermal stability.  Molecular Systems Design & Engineering,  (1): (86-98).  [10.1039/D3ME00066D]
20. Yuanlong Guo, Gu Guo, Pengcheng Liu, Yang You, Jili Yuan, Gang Hu, Lei Dai, Michael North, Haibo Xie, Qiang Zheng.  (2023)  The synthesis of multifunctional cellulose graft alternating copolymers of 3,4-dihydrocoumarin and epoxides in DBU/DMSO/CO2 solvent system.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,  252  (126584).  [PMID:37648137] [10.1016/j.ijbiomac.2023.126584]
21. Pengcheng Liu, Yuanlong Guo, Gu Guo, Lei Dai, Gang Hu, Haibo Xie.  (2023)  Lignin-grafting alternative copolymer of 3,4-dihydrocoumarin and epoxides as an active and flexible ingredient in sunscreen.  GREEN CHEMISTRY,  25  (11): (4469-4481).  [10.1039/D3GC00531C]
22. Shasha Jing, Huijun Zheng, Li Zhao, Lingbo Qu, Lanlan Yu.  (2017)  A sensitive sodium dodecyl sulfonate functionalized graphene hybrid SnO2 nanoparticles composite modified glassy carbon electrode for detecting daphnetin.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,  787  (72).  [10.1016/j.jelechem.2017.01.027]

溶液计算器