Calcium ionophore I - Moligand™, 10mg/ml in ethanol , CAS No.58801-34-6

CAS: 58801-34-6 Cat. No.: D684617 Peso molecular: 684.99 Beilstein Registry Number: 2343275 Número EC: 261-449-8

GRADE & PURITY Moligand™, 10mg/ml in ethanol

Synonyms

CA 1001 | ETH 1001 | (-)-(R,R)-N,N'-[Bis(11-ethoxycarbonyl)undecyl]-N,N',4,5-tetramethyl-3,6-dioxooctanediamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

CA 1001 | ETH 1001 | (-)-(R, R)-N, N'-[Bis(11-ethoxycarbonyl)undecyl]-N, N', 4, 5-tetramethyl-3, 6-dioxooctanediamide

Especificaciones y pureza

Moligand™, 10mg/ml in ethanol

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
• IUPAC Name: ethyl 12-[[2-[(2R,3R)-3-[2-[(12-ethoxy-12-oxododecyl)-methylamino]-2-oxoethoxy]butan-2-yl]oxyacetyl]-methylamino]dodecanoate
• InChIKey: CJAONIOAQZUHPN-KKLWWLSJSA-N
• INCHI: 1S/C38H72N2O8/c1-7-45-37(43)27-23-19-15-11-9-13-17-21-25-29-39(5)35(41)31-47-33(3)34(4)48-32-36(42)40(6)30-26-22-18-14-10-12-16-20-24-28-38(44)46-8-2/h33-34H,7-32H2,1-6H3/t33-,34-/m1/s1
• Isómeros SMILES: CCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
• WGK Alemania: 3
• Peso molecular: 684.99
• Beilstein: 2343275
• Reaxy-Rn: 2343275
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2343275&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Carboxylic acid esters Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Índice de refracción: n20D1.47 (Predicted)
• Punto de ebullición (°C): 715.08° C at 760 mmHg (Predicted)
• Peso molecular: 685.000 g/mol
• XLogP3: 8.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 35
• Exact Mass: 684.529 Da
• Monoisotopic Mass: 684.529 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 759.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Chaojiang Li, Yuxuan Liu, Guodong Liu, Qifeng Tan, Xiaolong Dou, Yuting Xie, Xianchao Zhang.  (2025)  Development of a low-cost flexible potentiometric detector and its integrated system for electrochemical sensing of electrolytes in human sweat.  Sensors and Actuators Reports,      [PMID:] [10.1016/j.snr.2025.100286]

2. Wang Youwei, Wang Xiushan, Xu Huan, Wu Ang, Chen Ying, Li Guiqiang, Dong Chuanxin, Li Yahui, Mei Chao, Li Shuailin, Zhang Hehu.  (2024)  Self-plasticized Ca2+-selective electrode with polyaniline and copolymer of aniline and 2,5-dimethoxyaniline as solid contact layers.  JOURNAL OF MATERIALS SCIENCE,  59  (34): (16129-16140).  [PMID:] [10.1007/s10853-024-10166-w]

3. Yanni Ge, Ran Zhang, Yuqing Feng, Huiling Li.  (2020)  Mbd2 Mediates Retinal Cell Apoptosis by Targeting the lncRNA Mbd2-AL1/miR-188-3p/Traf3 Axis in Ischemia/Reperfusion Injury.  Molecular Therapy-Nucleic Acids,      [PMID:32074940] [10.1016/j.omtn.2020.01.011]

4. Ran Zhang, Yuqing Feng, Jinfang Lu, Yanni Ge, Huiling Li.  (2021)  lncRNA Ttc3-209 Promotes the Apoptosis of Retinal Ganglion Cells in Retinal Ischemia Reperfusion Injury by Targeting the miR-484/Wnt8a Axis.  INVESTIGATIVE OPHTHALMOLOGY & VISUAL SCIENCE,  62  (3): (13-13).  [PMID:33687475] [10.1167/iovs.62.3.13]

5. Guodong Liu, Xianyang Guan, Pingna Zhang, Qifeng Tan, Tianlong Li, Xin Jin, Huiqing Xu, Chaojiang Li, Jieliang Zhao.  (2025)  A Fully Integrated Wearable Microfluidic Electrochemical Sensor with Ultrasonic Connecting and Hot-Pressing Bonded Multilayer Structure for Sweat Biomarker Analysis.  ANALYTICAL CHEMISTRY,      [PMID:41055006] [10.1021/acs.analchem.5c04641]