염소 나이팅게일 - ≥95% , CAS No.51-77-4

CAS: 51-77-4 Cat. No.: G355488 분자식: C₂₇H₄₄O₂ 분자량: 400.65

GRADE & PURITY ≥95%

Synonyms

AKOS015966756 | gefarnate | UNII-1ISE2Y6ULA | [(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate | 111GE003 | DTXCID7028562 | Gefarnyl | Gefarnato | GEFARNATE [INN] | 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E

Storage

빛으로부터 보호,-20°C에서 보관하십시오

Shipped In

아이스 박스 + 아이스 패드

개요

게파르네이트(게라닐파르네실아세테이트)는 위궤양 치료에 사용되는 합성 화합물입니다

Specifications

동의어

AKOS015966756 | gefarnate | UNII-1ISE2Y6ULA | [(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate | 111GE003 | DTXCID7028562 | Gefarnyl | Gefarnato | GEFARNATE [INN] | 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, (2E

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

게파르네이트는 위 점액 분비를 자극하는 항궤양제입니다. 또한 게파르네이트는 토끼 결막 조직에서 뮤신 유사 당단백질의 분비를 증가시킵니다. 동물 안구건조증 모델에서 효과가 있는 것으로 나타났습니다. 일본에서는 다음과 같이 승인되었습니다

보관 조건

빛으로부터 보호,-20°C에서 보관하십시오

배송

아이스 박스 + 아이스 패드

순수함

≥95%

이름과 식별자

• Pubchem Sid: 504763409
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763409
• 정식 스마일: CC(=CCCC(=CCCC(=CCCC(=O)OCC=C(C)CCC=C(C)C)C)C)C
• IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
• InChIKey: ZPACYDRSPFRDHO-ROBAGEODSA-N
• INCHI: 1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+
• 이성체 SMILES: CC(=CCC/C(=C/CC/C(=C/CCC(=O)OC/C=C(\C)/CCC=C(C)C)/C)/C)C
• 분자량: 400.65
• Reaxy-Rn: 2509088
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2509088&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters
        • Level5 Wax esters
          • Level6 Wax monoesters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Wax esters
• Direct Parent: Wax monoesters
• Alternative Parents: Sesquiterpenoids Fatty alcohol esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Wax monoester skeleton - Farsesane sesquiterpenoid - Sesquiterpenoid - Fatty alcohol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position.
• 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

관련 대상(비인간)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO:100 mg/mL (249.60 mM)
• 감도: Moisture & Light sensitive
• 분자량: 400.600 g/mol
• XLogP3: 9.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 400.334 Da
• Monoisotopic Mass: 400.334 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 619.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1