LY293111 - Moligand™, ≥98% , Peroxisome proliferator-activated receptor gamma agonist, CAS No.161172-51-6, Peroxisome proliferator-activated receptor gamma agonist

CAS: 161172-51-6 Cat. No.: L294138 분자식: C₃₃H₃₃FO₆ 분자량: 544.6

GRADE & PURITY Moligand™, ≥98%

Synonyms

PDSP1_001237 | HY-114750 | LY 293111 | 2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid | Etalocib [USAN:INN] | Etalocib (USAN) | LY293111 | VML295LY293111 | SCHEMBL1649516 | LY 293111; VML 295 | L001468 | BDBM500

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Application：

LY293111 is a leukotriene receptor antagonist and protect neurons from the sPLA2-IB-induced neuronal cell death independently of blocking their receptors.

Specifications

동의어

PDSP1_001237 | HY-114750 | LY 293111 | 2-[2-Propyl-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]benzoic acid | Etalocib [USAN:INN] | Etalocib (USAN) | LY293111 | VML295LY293111 | SCHEMBL1649516 | LY 293111; VML 295 | L001468 | BDBM500

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Etalocib (LY293111), an orally active leukotriene B4 receptor antagonist, inhibits the binding of [3H]LTB4, with a Ki of 25 nM. Etalocib (LY293111) prevents LTB4-induced calcium mobilization with an lC50 of 20 nM. Etalocib (LY293111) induces apoptosis.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Peroxisome proliferator-activated receptor gamma agonist

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504757700
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757700
• 정식 스마일: CCCC1=C(C=CC=C1OC2=CC=CC=C2C(=O)O)OCCCOC3=CC(=C(C=C3CC)C4=CC=C(C=C4)F)O
• IUPAC Name: 2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid
• InChIKey: YFIZRWPXUYFCSN-UHFFFAOYSA-N
• INCHI: 1S/C33H33FO6/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)
• 이성체 SMILES: CCCC1=C(C=CC=C1OC2=CC=CC=C2C(=O)O)OCCCOC3=CC(=C(C=C3CC)C4=CC=C(C=C4)F)O
• UN 번호: 1231
• 포장 그룹: II
• 분자량: 544.6
• Reaxy-Rn: 7400417
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7400417&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Biphenyls and derivatives Diarylethers Phenylpropanes Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fluorobenzenes Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Biphenyl - Diaryl ether - Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

관련 대상(인간)

LTB4R Tchem Leukotriene B4 receptor 1 (2 Activities)

Discover Target: LTB4R

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

LTB4R Tchem Leukotriene B4 receptor 1 (1083 Activities)

Discover Target: LTB4R

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

Homo sapiens (32628 Activities)

Explore this target

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

관련 대상(비인간)

Cavia porcellus (23802 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: MF: 30 mg/ml DMSO: 30 mg/ml Ethanol: 30 mg/ml Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
• 끓는점(°C): 57° C
• 분자량: 544.600 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 544.226 Da
• Monoisotopic Mass: 544.226 Da
• Topological Polar Surface Area: 85.200 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 742.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 161172-51-6, the molecular formula is C33H33FO6, and the molecular weight is 544.6 g/mol. InChIKey YFIZRWPXUYFCSN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.