Apilimod - Moligand™, ≥98% , 1-phosphatidylinositol 3-phosphate 5-kinase inhibitor, CAS No.541550-19-0, 1-phosphatidylinositol 3-phosphate 5-kinase inhibitor

CAS: 541550-19-0 Cat. No.: A340149 분자식: C₂₃H₂₆N₆O₂ 분자량: 418.49 EC 번호: 810-045-5

등급 & 순도 Moligand™, ≥98%

Synonyms

GFW2K84S4L | Apilimod [INN] | HY-14644 | AKOS015909602 | N-[6-Morpholin-4-yl-2-(2-pyridin-2-yl-ethoxy)-pyrimidin-4-yl]-N'-[1-m-tolyl-meth-(E)-ylidene]-hydrazine | BA177430 | Apilimod | N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Apilimod is a potent inhibitor of the cytokines IL-12 and IL-23 production. IL-12 and IL-23 are potential regulators of certain autoimmune and inflammatory diseases.|The following water-soluble salt forms are also available:|Apilimod Hydrochloride |Apilimod mesylate

사양

동의어

GFW2K84S4L | Apilimod [INN] | HY-14644 | AKOS015909602 | N-[6-Morpholin-4-yl-2-(2-pyridin-2-yl-ethoxy)-pyrimidin-4-yl]-N'-[1-m-tolyl-meth-(E)-ylidene]-hydrazine | BA177430 | Apilimod | N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Apilimod (STA-5326) is a potent, orally active and selective inhibitor of the cytokines IL-12 and IL-23. Apilimod selectively suppresses synthesis of IL-12 and IL-23 by inhibition of phosphotransferase activity of TLR-4 regulator lipid kinase PIKfyve (pho

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

1-phosphatidylinositol 3-phosphate 5-kinase inhibitor

순수함

≥98%

제품 특성

ALogP

3.8

이름과 식별자

Pubchem Sid

504765295

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765295

정식 스마일

CC1=CC(=CC=C1)C=NNC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4

IUPAC Name

N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

InChIKey

HSKAZIJJKRAJAV-KOEQRZSOSA-N

INCHI

1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+

이성체 SMILES

CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4

분자량

418.49

Reaxy-Rn

18539732

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18539732&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Toluenes Aminopyrimidines and derivatives Alkyl aryl ethers Pyridines and derivatives Morpholines Imidolactams Heteroaromatic compounds Oxacyclic compounds Hydrazones Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Dialkyl ether - Ether - Hydrazone - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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)

PIKFYVE Tchem 1-phosphatidylinositol 3-phosphate 5-kinase (2 Activities)

Discover Target: PIKFYVE

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

PIKFYVE Tchem 1-phosphatidylinositol 3-phosphate 5-kinase (270 Activities)

Discover Target: PIKFYVE

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Murine hepatitis virus (113 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Marburgvirus (118 Activities)

Explore this target

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

Vero C1008 (1716 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: insoluble in H2O； ≥17.9 mg/mL in DMSO； ≥6.86 mg/mL in EtOH with ultrasonic
• 녹는점(°C): 70-80° C
• 분자량: 418.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 418.212 Da
• Monoisotopic Mass: 418.212 Da
• Topological Polar Surface Area: 84.800 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 544.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• 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.

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

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 541550-19-0, the molecular formula is C23H26N6O2, and the molecular weight is 418.49 g/mol. InChIKey HSKAZIJJKRAJAV-KOEQRZSOSA-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.