12-epi Leukotriene B4 - Moligand™, A solution in ethanol , Agonist of BLT 2 receptor, CAS No.83709-73-3, Agonist of BLT 2 receptor

CAS: 83709-73-3 Cat. No.: E349093 분자식: C₂₀H₃₂O₄ 분자량: 336.5

GRADE & PURITY Moligand™, A solution in ethanol

Synonyms

12(S)-Leukotriene B4 | AKOS040756146 | 5(S),12(S)-Dihydroxyeicosatetraenoate | 12-Epi leukotriene B4 | 6,8,10,14-Eicosatetraenoicacid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12S,14Z)- | 12-epi-LTB4 | LMFA03020015 | [S-[R*,R*-(E,Z,E,Z)]]-5,12-dihydroxy-6,8,10,14-E

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Leukotriene B4 (LTB4) compounds are produced by both enzymatic and non-enzymatic processes, where the products of enzymatic origin, via Leukotriene A4 (LTA4) hydrolase, are stereospecifically 12(R). Non-enzymatic hydrolysis products are racemic mixtures at C-12, but are nearly exclusive for trans at C-6. Thus, the non-enzymatic hydrolysis product of LTA4 is 6-trans-12-epi LTB4. 12-epi LTB4 is an isomer which would not be expected to occur in either non-enzymatic hydrolysis products, or in the enzymatic products of LTA4 hydrolase. Compared to LTB4, 12-epi LTB4 has significantly reduced affinity for the LTB4 receptor on human neutrophils (IC50 of 7.5 mM), and on guinea pig lung membranes with a (Ki of 4.7 mM), 12-epi LTB4 is an weak agonist at both the recombinant human BLT1 and BLT2 receptors, requiring approximately 10 mM for full activation of the receptor.

Specifications

동의어

12(S)-Leukotriene B4 | AKOS040756146 | 5(S),12(S)-Dihydroxyeicosatetraenoate | 12-Epi leukotriene B4 | 6,8,10,14-Eicosatetraenoicacid, 5,12-dihydroxy-, (5S,6Z,8E,10E,12S,14Z)- | 12-epi-LTB4 | LMFA03020015 | [S-[R*,R*-(E,Z,E,Z)]]-5,12-dihydroxy-6,8,10,14-E

사양 및 순도

Moligand™, A solution in ethanol

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

AGONIST

작동 메커니즘

Agonist of BLT 2 receptor

이름과 식별자

• 정식 스마일: CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O
• IUPAC Name: (5S,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
• InChIKey: VNYSSYRCGWBHLG-CBBLYLIKSA-N
• INCHI: 1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19+/m0/s1
• 이성체 SMILES: CCCCC/C=C\C[C@@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
• 분자량: 336.5
• Reaxy-Rn: 14529478
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14529478&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Leukotrienes
• Alternative Parents: Hydroxyeicosatetraenoic acids Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Leukotriene - Hydroxyeicosatetraenoic acid - Long-chain fatty acid - Hydroxy fatty acid - Fatty acid - Unsaturated fatty acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated.
• External Descriptors: Leukotrienes

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(인간)

LTB4R2 Tchem Leukotriene B4 receptor 2 (1 Activities)

Discover Target: LTB4R2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 끓는점(°C): 78° C
• 분자량: 336.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 336.23 Da
• Monoisotopic Mass: 336.23 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 421.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1