pelubiprofen - Moligand™ , CAS No.69956-77-0

CAS: 69956-77-0 Cat. No.: P612684 PubChem CID: 5282203
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
(+-)-p-(((E)-2-Oxocyclohexylidene)methyl)hydratropic acid | CAS-69956-77-0 | DB12150 | Q27251763 | Benzeneacetic acid, alpha-methyl-4-((2-oxocyclohexylidene)methyl)- | PELUBIPROFEN [WHO-DD] | DW330SR | DW-330SR | Z2583154614 | CS 670 | EN300-21702735 | GT
Storage
Room temperature
Size
Allemagne (EU)
USA*
Price
Qty
5mg
P612684-5mg
Sur commande · 8–12 semaines
781,75€
25mg
P612684-25mg
Sur commande · 8–12 semaines

1 488,09€

2 343,68€
Enregistrer 855,59 € (36.51%)
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 21 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
(+-)-p-(((E)-2-Oxocyclohexylidene)methyl)hydratropic acid | CAS-69956-77-0 | DB12150 | Q27251763 | Benzeneacetic acid, alpha-methyl-4-((2-oxocyclohexylidene)methyl)- | PELUBIPROFEN [WHO-DD] | DW330SR | DW-330SR | Z2583154614 | CS 670 | EN300-21702735 | GT
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Noms et identifiants
Sourires canoniquesCC(C1=CC=C(C=C1)C=C2CCCCC2=O)C(=O)O
IUPAC Name2-[4-[(E)-(2-oxocyclohexylidene)methyl]phenyl]propanoic acid
InChIKeyAUZUGWXLBGZUPP-GXDHUFHOSA-N
INCHI1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+
Isomères SMILES CC(C1=CC=C(C=C1)/C=C/2\CCCCC2=O)C(=O)O
CAS alternatif 69956-77-0
PubChem CID 5282203
Termes d'entrée MeSH 2-(4-((2-oxocyclohexylidene)methyl)phenyl)propionic acid;2-OCMPP;CS 670;CS-670;pelubiprofen

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassePhenylpropanoic acids
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenylpropanoic acids
Alternative Parents Monocyclic monoterpenoids  Aromatic monoterpenoids  Benzene and substituted derivatives  Cyclic ketones  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Monocyclic benzene moiety - Benzenoid - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (non humaines)
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire258.310 g/mol
XLogP33.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass258.126 Da
Monoisotopic Mass258.126 Da
Topological Polar Surface Area54.400 Ų
Heavy Atom Count19
Formal Charge0
Complexity375.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Citations of This Product
Références
1. Li Zhou, Fashe Li, Huicong Zhang, Yaozong Duan, Hua Wang.  (2023)  Effect of phospholipids on the oxidative reactivity and microstructure of soot particles from Jatropha biodiesel combustion.  APPLIED ENERGY,      [PMID:] [10.1016/j.apenergy.2023.122224]
2. Qiao Xiong, Yinqiu Li, Chaohua Hou, Jie Yang, Xiangjun Zhou, Xiao Ma, Xiangru Zuo, Xiang Wu.  (2023)  How microplastics affect sludge pyrolysis behavior: Thermogravimetry-mass spectrum analysis and biochar characteristics.  WASTE MANAGEMENT,      [PMID:] [10.1016/j.wasman.2023.10.020]
3. Fangze Huang, Ximao Liu, Junjie Liu, Yu Xie, Li Zhao, Deshen Liu, Zifeng Zeng, Xiu Liu, Shaoyi Zheng, Zezhou Xiao.  (2023)  Phosphatidylethanolamine aggravates Angiotensin II-induced atrial fibrosis by triggering ferroptosis in mice.  Frontiers in Pharmacology,      [PMID:37288112] [10.3389/fphar.2023.1148410]
4. Jianchao Ren, Zhenya Xing, Yuan Ji, Ke Yang, Yu Gao, Wei Wang, Shuaishuai Fan, Zheng Wang, Jingqi Wang.  (2023)  Ejaculatory Duct Obstruction Affects Seminal Vesicle Contractile Efficacy and Smooth Muscle Ultrastructure in a Rat Model.  ANDROLOGIA,      [PMID:] [10.1155/2023/5022466]
5. Bingqing Zhang, Xueyong Li, Yiying Chen, Bo Chen, Yu Cheng, Hailing Lin, Wancai Que, Maobai Liu, Lili Zhou, Hui Zhang, Hongqiang Qiu, Chaoyang Wu.  (2023)  Determination of polymyxin B in human plasma and epithelial lining fluid using LC-MS/MS and its clinical application in therapeutic drug monitoring.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:36822067] [10.1016/j.jpba.2023.115291]
6. Zihan Lang, Lidong Xue.  (2022)  Can Polylactic Acid (PLA) Act as an Important Vector for Triclosan?.  Sustainability,  14  (19): (12872).  [PMID:] [10.3390/su141912872]
7. Ziqi Zhao, Yulong Liu, Youquan Zhang, Mei Yang, Fang Shen, Zongwu Wei, Kungang Chai, Hongbing Ji.  (2022)  Fabricating hypercrosslinked aromatic-rich starch urethane polymer with enhanced adsorption performance for separation of acetophenone and 1-phenylethanol.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2022.105272]
8. Dongli Li, Zhaoqiang Zhang, Liqin Zhou, Youquan Zhang, Zhenxia Zhao, Fang Shen, Xingzhen Qin, Kungang Chai, Hongbing Ji.  (2022)  From normal crosslinking to core–shell structure: Improved performance of β-cyclodextrin based adsorbent toward efficient separation of acetophenone and 1-phenylethanol.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2022.120955]
9. Zhu Yutao, Hu Xiaoqian, Wang Ping, Gao Linying, Pei Yakun, Ge Zhaoyue, Ge Xiaoyang, Li Fuguang, Hou Yuxia.  (2021)  GhPLP2 Positively Regulates Cotton Resistance to Verticillium Wilt by Modulating Fatty Acid Accumulation and Jasmonic Acid Signaling Pathway.  Frontiers in Plant Science,      [PMID:34795685] [10.3389/fpls.2021.749630]
10. Cao Qiongqiong, Xu Dongmei, Chen Yong, Long Yueming, Dai Fang, Gui Li, Lu Yunxia.  (2021)  Sitagliptin Reduces Endothelial Dysfunction and Apoptosis Induced by High-Fat Diet and Palmitate in Thoracic Aortas and Endothelial Cells via ROS-ER Stress-CHOP Pathway.  Frontiers in Pharmacology,      [PMID:34531738] [10.3389/fphar.2021.670389]
11. Han Wensong, Guo Qin, Su Tianhui.  (2021)  Synthesis of Cu@HBP-SH@Ag Particles by Using Thiol-Terminated Hyperbranched Polymer as Template and Dispersant.  JOURNAL OF ELECTRONIC MATERIALS,  50  (6): (3222-3227).  [PMID:] [10.1007/s11664-021-08909-5]
12. Shunyao Li, Kai Sun, Xin Yan, Chao Lu, Michael Gatheru Waigi, Juan Liu, Wanting Ling.  (2021)  Identification of novel catabolic genes involved in 17β-estradiol degradation by Novosphingobium sp. ES2-1.  ENVIRONMENTAL MICROBIOLOGY,  23  (5): (2550-2563).  [PMID:33754450] [10.1111/1462-2920.15475]
13. Xingxing Chen, Qianyun Zhong, Chenhui Cui, Li Ma, Shuang Liu, Qiang Zhang, Youshen Wu, Le An, Yilong Cheng, Shibo Ye, Xiaoming Chen, Zhen Dong, Quan Chen, Yanfeng Zhang.  (2020)  Extremely Tough, Puncture-Resistant, Transparent, and Photoluminescent Polyurethane Elastomers for Crack Self-Diagnose and Healing Tracking.  ACS Applied Materials & Interfaces,      [PMID:32597173] [10.1021/acsami.0c07727]
14. Liqin Zhou, Qinghua Liang, Kungang Chai, Zhangfa Tong, Hongbing Ji.  (2019)  A cost-effective β-cyclodextrin polymer for selective adsorption and separation of acetophenone and 1-phenylethanol via specific noncovalent molecular interactions.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2019.104448]
15. Guoyu Li, Kungang Chai, Liqin Zhou, Zhangfa Tong, Hongbing Ji.  (2018)  Easy fabrication of aromatic-rich cellulose-urethane polymer for preferential adsorption of acetophenone over 1-phenylethanol.  CARBOHYDRATE POLYMERS,      [PMID:30553377] [10.1016/j.carbpol.2018.11.057]
16. Lingzhan Miao, Peifang Wang, Jun Hou, Yu Yao, Zhilin Liu, Songqi Liu, Tengfei Li.  (2018)  Distinct community structure and microbial functions of biofilms colonizing microplastics.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:30292995] [10.1016/j.scitotenv.2018.09.378]
17. Kungang Chai, Ke Lu, Zhijun Xu, Zhangfa Tong, Hongbing Ji.  (2018)  Rapid and selective recovery of acetophenone from petrochemical effluents by crosslinked starch polymer.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:29367129] [10.1016/j.jhazmat.2018.01.034]
18. Fan Chen, Dandan Chen, Yubin Zhang, Liang Jin, Han Zhang, Miyang Wan, Tianshu Pan, Xiaochuan Wang, Yuheng Su, Yitao Xu, Junmei Ye.  (2017)  Interleukin-6 deficiency attenuates angiotensin II-induced cardiac pathogenesis with increased myocyte hypertrophy.  BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS,      [PMID:29079193] [10.1016/j.bbrc.2017.10.119]
19. Han Wensong.  (2017)  Synthesis of Cu/SiO2 Core–Shell Particles Using Hyperbranched Polyester as Template and Dispersant.  JOURNAL OF ELECTRONIC MATERIALS,  46  (7): (4676-4681).  [PMID:] [10.1007/s11664-017-5478-9]
20. Yinwen Li, Huilong Guo, Jian Zheng, Jianqun Gan, Yan Zhang, Xiaoxiao Guan, Kun Wu, Mangeng Lu.  (2014)  Synthesis and encapsulation of an amphiphilic thermoresponsive star polymer with β-cyclodextrin and hyperbranched poly(oligo(ethylene glycol)methacrylate) as building blocks.  RSC Advances,  (97): (54268-54281).  [PMID:] [10.1039/C4RA10407B]
21. Zhaochuang Wang, Qiaohui Lu, Xiaoyu Li, Yan Zhou, Yan Xiao, Meidong Lang.  (2023)  Digital light processing of customized elastic scaffolds by efficient thiol-yne crosslinking.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2023.112586]
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