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 분자식: C₁₀H₁₁BO₄ 분자량: 206.00 EC 번호: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Plasmodium falciparum cleavage and polyadenylation specificity factor subunit 3

순수함

≥98%

이름과 식별자

• 정식 스마일: 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)
• 이성체 SMILES: B1(C2=C(CO1)C=CC=C2CCC(=O)O)O
• 분자량: 206.00

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

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

WI-38 (2654 Activities)

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

HCT-116 (91556 Activities)

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

Jurkat (10389 Activities)

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

HeLa (62764 Activities)

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

MDA-MB-231 (73002 Activities)

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

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

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

Plasmodium berghei (192651 Activities)

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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

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive
• 분자량: 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