(R)-GNE-140 - ≥98% , CAS No.2003234-63-5

CAS: 2003234-63-5 Cat. No.: R413580 Peso molecular: 499.04 PubChem CID: 121225870
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
2(1H)-Pyridinone,3-[(2-chlorophenyl)thio]-5,6-dihydro-4-hydroxy-6-[4-(4-morpholinyl)phenyl]-6-(3-thienyl)-,(6R)-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Estado
Price
Qty
1mg
R413580-1mg
3

64,90US$

97,90US$
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5mg
R413580-5mg
3

219,90US$

329,90US$
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10mg
R413580-10mg
2

328,90US$

493,90US$
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25mg
R413580-25mg
2

557,90US$

836,90US$
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50mg
R413580-50mg
2

930,90US$

1.396,90US$
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100mg
R413580-100mg
1

1.603,90US$

2.405,90US$
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Information

(R)-GNE-140 (R)-GNE-140 is a selective inhibitor of the LDHA and LDHB with IC50s of 3 nM and 5 nM, respectively. The R enantiomer of GNE-140 is 18-fold more potent than S enantiomer.


Targets

LDHA (Cell-free assay); LDHB (Cell-free assay) 3 nM; 5 nM


In vitro

(R)-GNE-140 inhibits proliferation in 37 of 347 cancer cell lines tested at a potency cut off of 5 μM. (R)-GNE-140 exhibits inhibition with two chondrosarcoma (bone) cancer cell lines that harbored IDH1 mutations (IC50 = 0.8μM).(R)-GNE-140 has submicromolar MiaPaca2 potency and inhibits proliferation in 11% of cancer cell lines in a broad panel.


In vivo

(R)-GNE-140 presents a low Clp, and also had high bioavailability when dosed orally at 5 mg/kg to mice. At higher oral doses, ranging from 50 to 200 mg/kg, (R)-GNE-140 displays greater in vivo exposure.


Cell Research(from reference)

Cell lines:105KC,JJ012,143B,G84,1321N1,ONS-76,G22,G140,G96,HCC1143,CAL-120,Hs 578T,SISO,SKG-II,HCT-15,KYSE-520,KMRC-1,SNU-475,SNU-423,HT-1080,NCI-H1437,NCI-H1339,LXF-289,MCAS,PA-1,Hs 38.T,59M,MIA PaCa-2,SW 1990,PSN1,GR-M,Hs 746T,MKN-74,S-117,FTC-238,B-CP 

Concentrations:6 pt dose titration scheme 

Incubation Time:72 h 

Specifications

Sinónimos
2(1H)-Pyridinone, 3-[(2-chlorophenyl)thio]-5, 6-dihydro-4-hydroxy-6-[4-(4-morpholinyl)phenyl]-6-(3-thienyl)-, (6R)-
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
(R)-GNE-140 is a selective inhibitor of the LDHA and LDHB with IC50s of 3 nM and 5 nM, respectively. The R enantiomer of GNE-140 is 18-fold more potent than S enantiomer.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicasC1COCCN1C2=CC=C(C=C2)C3(CC(=C(C(=O)N3)SC4=CC=CC=C4Cl)O)C5=CSC=C5
IUPAC Name(2R)-5-(2-chlorophenyl)sulfanyl-4-hydroxy-2-(4-morpholin-4-ylphenyl)-2-thiophen-3-yl-1,3-dihydropyridin-6-one
InChIKeySUFXXEIVBZJOAP-RUZDIDTESA-N
INCHI1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m1/s1
Isómeros SMILES C1COCCN1C2=CC=C(C=C2)[C@]3(CC(=C(C(=O)N3)SC4=CC=CC=C4Cl)O)C5=CSC=C5
PubChem CID 121225870
Peso molecular 499.04

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseOxazinanes
SubclassMorpholines
Intermediate Tree Nodes Not available
Direct ParentPhenylmorpholines
Alternative Parents Dialkylarylamines  Aryl thioethers  Aniline and substituted anilines  Dihydropyridines  Chlorobenzenes  Aryl chlorides  Thiophenes  Heteroaromatic compounds  Cyclic carboximidic acids  Thioenol ethers  Sulfenyl compounds  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylmorpholine - Aryl thioether - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Halobenzene - Dihydropyridine - Chlorobenzene - Benzenoid - Hydropyridine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Cyclic carboximidic acid - Thiophene - Thioenolether - Tertiary amine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
LDHB Tchem L-lactate dehydrogenase B chain (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
LDHA Tchem L-lactate dehydrogenase A chain (6 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
LDHA Tchem L-lactate dehydrogenase A chain (1573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LDHB Tchem L-lactate dehydrogenase B chain (463 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A673 (619 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MG-63 (795 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H1975 (4994 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEL-S-133P L-lactate dehydrogenase (161 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BEAS-2B (690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeFechaArticulo
A2408629Certificate of AnalysisDec 07, 2023 R413580
A2408636Certificate of AnalysisDec 07, 2023 R413580
A2408637Certificate of AnalysisDec 07, 2023 R413580
A2408638Certificate of AnalysisDec 07, 2023 R413580
A2408639Certificate of AnalysisDec 07, 2023 R413580
A2408640Certificate of AnalysisDec 07, 2023 R413580
A2408641Certificate of AnalysisDec 07, 2023 R413580
Propiedades químicas y físicas
SolubilidadSolubility (25°C) In vitro DMSO: 30 mg/mL (60.11 mM); Water: Insoluble; Ethanol: Insoluble;
Peso molecular499.000 g/mol
XLogP34.800
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass498.084 Da
Monoisotopic Mass498.084 Da
Topological Polar Surface Area115.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity739.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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