AN3661 - Moligand™,≥98% , Plasmodium falciparum cleavage and polyadenylation specificity factor subunit 3, CAS No.1268335-33-6, Plasmodium falciparum cleavage and polyadenylation specificity factor subunit 3

CAS: 1268335-33-6 Cat. No.: A607629 Fórmula: C₁₀H₁₁BO₄ Peso molecular: 206.00 Número CE: 690-931-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

D79971 | HY-128204 | 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid | 1268335-33-6 | TQ0120 | 3-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yl)propanoic acid | AN3661 | AKOS028114778 | CEVOKIPNIZQANN-UHFFFAOYSA-N | GTPL10084 | A901943 | EN300-1874

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

AN3661, a potent antimalarial lead compound, targets a Plasmodium falciparum cleavage and polyadenylation specificity factor homologue subunit 3 (PfCPSF3). AN3661 inhibits Plasmodium falciparum laboratory-adapted strains (mean IC50=32 nM), Ugandan field isolates (mean ex vivo IC50=64 nM), and murine P. berghei and P. falciparum infections.

Specifications

Sinónimos

D79971 | HY-128204 | 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid | 1268335-33-6 | TQ0120 | 3-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yl)propanoic acid | AN3661 | AKOS028114778 | CEVOKIPNIZQANN-UHFFFAOYSA-N | GTPL10084 | A901943 | EN300-1874

Especificações e pureza

Moligand™,≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Plasmodium falciparum cleavage and polyadenylation specificity factor subunit 3

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: OC(=O)CCc1cccc2c1B(O)OC2
• IUPAC Name: 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid
• InChIKey: CEVOKIPNIZQANN-UHFFFAOYSA-N
• INCHI: 1S/C10H11BO4/c12-9(13)5-4-7-2-1-3-8-6-15-11(14)10(7)8/h1-3,14H,4-6H2,(H,12,13)
• SMILES isoméricas: B1(C2=C(CO1)C=CC=C2CCC(=O)O)O
• Peso molecular: 206.00

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Oxaborole derivatives Boronic acid esters Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Boronic acid ester - 1,2-oxaborole derivative - Boronic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Organic oxide - Organic metalloid moeity - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
• 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

Alvos associados (humanos)

CPSF3 Tchem Cleavage and polyadenylation specificity factor subunit 3 (1 Activities)

Discover Target: CPSF3

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

SK-OV-3 (52876 Activities)

Explore this target

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

WI-38 (2654 Activities)

Explore this target

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

HCT-116 (91556 Activities)

Explore this target

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

Jurkat (10389 Activities)

Explore this target

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

HeLa (62764 Activities)

Explore this target

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

MDA-MB-231 (73002 Activities)

Explore this target

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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Plasmodium berghei (192651 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Peso molecular: 206.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 206.075 Da
• Monoisotopic Mass: 206.075 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 246.000
• 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

XLogP3