WL-231219 - Moligand™,≥97% , CAS No.842955-63-9

CAS: 842955-63-9 Cat. No.: W418424 Formula: C₁₀H₁₂N₄O₂ Peso molecolare: 220.23 Numero EC: 828-902-7 PubChem CID: 1092114

GRADE & PURITY Moligand™, ≥97%

Synonyms

ChemDiv2_003005 | SMR000067803 | HMS2338I05 | DTXSID00360232 | MLS000120706 | AKOS000200502 | WL-231219 | BB 0219074 | VU0176652-4 | 3-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-propionic acid | [1,2,4]Triazolo[1,5-a]pyrimidine-6-propanoic acid,

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

inhibitors of parasitic histone deacetylase (PfHDAC)

Specifications

Sinonimi

ChemDiv2_003005 | SMR000067803 | HMS2338I05 | DTXSID00360232 | MLS000120706 | AKOS000200502 | WL-231219 | BB 0219074 | VU0176652-4 | 3-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-propionic acid | [1,2,4]Triazolo[1,5-a]pyrimidine-6-propanoic acid,

Specifiche e purezza

Moligand™,≥97%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: CC1=C(C(=NC2=NC=NN12)C)CCC(=O)O
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
• InChIKey: NWSSSDXVQWXROX-UHFFFAOYSA-N
• INCHI: 1S/C10H12N4O2/c1-6-8(3-4-9(15)16)7(2)14-10(13-6)11-5-12-14/h5H,3-4H2,1-2H3,(H,15,16)
• Isomeri SMILES: CC1=C(C(=NC2=NC=NN12)C)CCC(=O)O
• PubChem CID: 1092114
• Peso molecolare: 220.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Triazolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Triazolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyrimidines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Triazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyrimidine - Pyrimidine - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Obiettivi associati (umani)

HEK293 (82097 Activities)

Explore this target

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

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

Obiettivi associati (non umani)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: light & Moisture sensitive
• Peso molecolare: 220.230 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 220.096 Da
• Monoisotopic Mass: 220.096 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 274.000
• 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