Apilimod dimesylate - Moligand™,10mM in DMSO , CAS No.870087-36-8

CAS: 870087-36-8 Cat. No.: A426548 분자식: C₂₅H₃₄N₆O₈S₂ 분자량: 610.7 EC 번호: 810-042-9

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Apilimod mesylate|870087-36-8|Apilimod dimesylate|STA 5326 mesylate|STA-5326 mesylate|Apilimod mesylate [USAN]|Apilimod (mesylate)|UNII-5G3P5OK11S|5G3P5OK11S|(E)-4-(6-(2-(3-methylbenzylidene)hydrazinyl)-2-(2-(pyridin-2-yl)ethoxy)pyrimidin-4-yl)morpholine

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

Apilimod mesylate | 870087-36-8 | Apilimod dimesylate | STA 5326 mesylate | STA-5326 mesylate | Apilimod mesylate [USAN] | Apilimod (mesylate) | UNII-5G3P5OK11S | 5G3P5OK11S | (E)-4-(6-(2-(3-methylbenzylidene)hydrazinyl)-2-(2-(pyridin-2-yl)ethoxy)pyrimidin-4-yl)morpholine

사양 및 순도

Moligand™,10mM in DMSO

생화학 및 생리적 메커니즘

Potent and selective PIKfyve inhibitor (IC50= 14 nM). Exhibits no significant activity at other lipid kinases and protein kinases, including PIP4K, PIP5K, mTOR, PI3K and PI4K. Inhibits cellular entry by SARS-CoV-2, MERS-CoV and MHV S pseudovirions. Reduce

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

INHIBITOR

이름과 식별자

Pubchem Sid

528776282

정식 스마일

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

IUPAC Name

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

InChIKey

GAJWNIKZLYZYSY-OKUPSQOASA-N

INCHI

1S/C23H26N6O2.2CH4O3S/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;2*1-5(2,3)4/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28);2*1H3,(H,2,3,4)/b25-17+;;

이성체 SMILES

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

분자량

610.7

Reaxy-Rn

28415556

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28415556&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 Alkyl aryl ethers Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Morpholines Alkanesulfonic acids Sulfonyls Heteroaromatic compounds Organosulfonic acids Methanesulfonates Oxacyclic compounds Hydrazones Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides
• Molecular Framework: Not available
• Substituents: Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Methanesulfonate - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrazone - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen 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

화학 및 물리적 특성

• 분자량: 610.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 610.188 Da
• Monoisotopic Mass: 610.188 Da
• Topological Polar Surface Area: 210.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 637.000
• 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: 3

XLogP3