RDR 03785 - Moligand™,≥96% , CAS No.289657-30-3

CAS: 289657-30-3 Cat. No.: R651267 분자식: C₁₉H₁₈F₃NO₄ 분자량: 381.35 PubChem CID: 2725942

GRADE & PURITY Moligand™, ≥96%

Synonyms

6-(Morpholino(4-(trifluoromethyl)phenyl)methyl)benzo[d][1,3]dioxol-5-ol

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

RDR 03785 is a covalent MIF inhibitor with an IC 50 of 0.36 μM.

The MIF Antagonist IV, RDR 03785 controls the biological activity of MIF. This small molecule/inhibitor is primarily used for Cell Structure applications.

Specifications

동의어

6-(Morpholino(4-(trifluoromethyl)phenyl)methyl)benzo[d][1,3]dioxol-5-ol

사양 및 순도

Moligand™,≥96%

생화학 및 생리적 메커니즘

RDR 03785 is a covalent MIF inhibitor with an IC 50 of 0.36 μM.

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥96%

이름과 식별자

• 정식 스마일: C1COCCN1C(C2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3O)OCO4
• IUPAC Name: 6-[morpholin-4-yl-[4-(trifluoromethyl)phenyl]methyl]-1,3-benzodioxol-5-ol
• InChIKey: AWQPMEGCCWPTRI-UHFFFAOYSA-N
• INCHI: 1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2
• 이성체 SMILES: C1COCCN1C(C2=CC=C(C=C2)C(F)(F)F)C3=CC4=C(C=C3O)OCO4
• PubChem CID: 2725942
• 분자량: 381.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Benzodioxoles Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Trifluoromethylbenzene - Benzodioxole - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Acetal - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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)

MIF Tchem Macrophage migration inhibitory factor (4 Activities)

Discover Target: MIF

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

MIF Tchem Macrophage migration inhibitory factor (979 Activities)

Discover Target: MIF

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

HepG2 (196354 Activities)

Explore this target

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

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

SARS-CoV-2 (38078 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: DMSO : 83.33 mg/mL (218.51 mM; Need ultrasonic)
• 감도: air sensitive
• 분자량: 381.300 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 381.119 Da
• Monoisotopic Mass: 381.119 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 492.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 289657-30-3, the molecular formula is C19H18F3NO4, and the molecular weight is 381.35 g/mol. InChIKey AWQPMEGCCWPTRI-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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.