DCPLA-ME - Moligand™,≥98% , CAS No.56687-67-3

CAS: 56687-67-3 Cat. No.: D650570 분자식: C₂₁H₃₈O₂ 분자량: 322.53 PubChem CID: 534623

등급 & 순도 Moligand™, ≥98%

Synonyms

DCPLA methyl ester | Methyl 8-(2-((2-pentylcyclopropyl)methyl)cyclopropyl)octanoate | Methyl 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoate | 2-[(2-Pentylcyclopropyl)methyl]cyclopropaneoctanoic acid methyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

DCPLA-ME, the methyl ester form of DCPLA, is a potent PKCε activator for use in the treatment of neurodegenerative diseases

사양

동의어

DCPLA methyl ester | Methyl 8-(2-((2-pentylcyclopropyl)methyl)cyclopropyl)octanoate | Methyl 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoate | 2-[(2-Pentylcyclopropyl)methyl]cyclopropaneoctanoic acid methyl ester

사양 및 순도

Moligand™,≥98%

생화학 및 생리적 메커니즘

DCPLA-ME, the methyl ester form of DCPLA, is a potent PKCε activator for use in the treatment of neurodegenerative diseases.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ACTIVATOR

순수함

≥98%

이름과 식별자

정식 스마일

CCCCCC1CC1CC2CC2CCCCCCCC(=O)OC

IUPAC Name

methyl 8-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]octanoate

InChIKey

WSVAMWHCPDAWFM-UHFFFAOYSA-N

INCHI

1S/C21H38O2/c1-3-4-8-11-17-14-19(17)16-20-15-18(20)12-9-6-5-7-10-13-21(22)23-2/h17-20H,3-16H2,1-2H3

이성체 SMILES

CCCCCC1CC1CC2CC2CCCCCCCC(=O)OC

PubChem CID

534623

분자량

322.53

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

화학 및 물리적 특성

• 용해성: DMSO : 15.62 mg/mL (48.43 mM; Need ultrasonic)
• 분자량: 322.500 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 322.287 Da
• Monoisotopic Mass: 322.287 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 339.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1