NS-1643 - Moligand™, ≥98%(HPLC) , Activator of K Ca1.1;Activator of K v11.1;Activator of K v11.2;Activator of K v11.3, CAS No.448895-37-2, Activator of K Ca1.1;Activator of K v11.1;Activator of K v11.2;Activator of K v11.3

CAS: 448895-37-2 Cat. No.: B135630 Formule: C₁₅H₁₀F₆N₂O₃ Poids moléculaire: 380.24 Numéro CE: 636-941-4

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

HY-16916 | NJFVQMRYJZHGME-UHFFFAOYSA-N | AB86340 | NS 1643 | Q27088049 | Urea, N,N'-bis(2-hydroxy-5-(trifluoromethyl)phenyl)- | 1,3-Bis(2-hydroxy-5-trifluoromethylphenyl)urea | UNII-517NCY12U7 | Securinan-11-one, (2alpha)- | N,N'-Bis[2-hydroxy-5-(trifluor

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

HY-16916 | NJFVQMRYJZHGME-UHFFFAOYSA-N | AB86340 | NS 1643 | Q27088049 | Urea, N,N'-bis(2-hydroxy-5-(trifluoromethyl)phenyl)- | 1,3-Bis(2-hydroxy-5-trifluoromethylphenyl)urea | UNII-517NCY12U7 | Securinan-11-one, (2alpha)- | N,N'-Bis[2-hydroxy-5-(trifluor

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Activateur du canal HERG (Kv11.1) (CE 50 = 10,5 μM). Augmente les courants erg2 (Kv11.2). Présente une activité antiarythmique in vitro.

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Grade

Moligand™

Type d'action

ACTIVATOR

Mécanisme d'action

Activator of K Ca1.1;Activator of K v11.1;Activator of K v11.2;Activator of K v11.3

Note

Dans la mesure du possible, les solutions doivent être préparées et utilisées le même jour. Toutefois, si vous devez préparer des solutions de base à l'avance, nous vous recommandons de les conserver sous forme d'aliquotes dans des flacons hermétiques à -20°C. Ces aliquotes sont généralement utilisables pendant un mois. En général, ces solutions peuvent être utilisées pendant un mois. Avant utilisation, et avant d'ouvrir le flacon, nous vous recommandons de laisser votre produit s'équilibrer à température ambiante pendant au moins 1 heure. Besoin de plus de conseils sur la solubilité, l'utilisation et la manipulation ? Veuillez consulter notre page de questions fréquemment posées (FAQ) pour plus de détails.

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 504765304
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765304
• Sourires canoniques: C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)O)O
• IUPAC Name: 1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea
• InChIKey: NJFVQMRYJZHGME-UHFFFAOYSA-N
• INCHI: 1S/C15H10F6N2O3/c16-14(17,18)7-1-3-11(24)9(5-7)22-13(26)23-10-6-8(15(19,20)21)2-4-12(10)25/h1-6,24-25H,(H2,22,23,26)
• Isomères SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)O)O
• WGK Allemagne: 3
• Poids moléculaire: 380.24
• Reaxy-Rn: 10382464
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10382464&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Trifluoromethylbenzenes 1-hydroxy-2-unsubstituted benzenoids Ureas Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-phenylurea - Trifluoromethylbenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Urea - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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

Cibles associées (humaines)

KCNH7 Tclin Potassium voltage-gated channel subfamily H member 7 (0 Activities)

Discover Target: KCNH7

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

KCNH6 Tclin Potassium voltage-gated channel subfamily H member 6 (1 Activities)

Discover Target: KCNH6

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

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)

Discover Target: KCNH2

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

KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (0 Activities)

Discover Target: KCNMA1

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

Discover Target: RUNX1

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol to 100 mM and in DMSO to 25 mM
• Poids moléculaire: 380.240 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 380.06 Da
• Monoisotopic Mass: 380.06 Da
• Topological Polar Surface Area: 81.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 457.000
• 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

Références

1. Xie-Huang Sheng, Lin-Song Teng, Xin-Hui Wang, Li-Qi Jiang, Xue-Cheng Sun, Jin-Long Mao, Lei Zhang.  (2026)  Repurposing the hERG activator NS-1643 as a ferroptosis-targeting therapeutic against doxorubicin cardiotoxicity.  FREE RADICAL BIOLOGY AND MEDICINE,      [PMID:41794151] [10.1016/j.freeradbiomed.2026.03.014]

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 448895-37-2, the molecular formula is C15H10F6N2O3, and the molecular weight is 380.24 g/mol. InChIKey NJFVQMRYJZHGME-UHFFFAOYSA-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.