CB-839 - Moligand™, ≥98% , Glutaminase kidney isoform, mitochondrial inhibitor, CAS No.1439399-58-2, Glutaminase kidney isoform, mitochondrial inhibitor

CAS: 1439399-58-2 Cat. No.: C174237 Peso molecular: 571.57

GRADE & PURITY Moligand™, ≥98%

Synonyms

A14396 | U6CL98GLP4 | A857288 | EX-A1310 | MFCD28167826 | AS-75090 | HMS3873G13 | NCGC00356145-11 | WHO 10815 | CB839; CB 839 pound>>Telaglenastat,

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Biochemical mechanism:

Cell permeable: yes

Primary Target

GLS1

Reversible: yes

Target IC50: 23 nM & 28 nM, respectively, using murine kidney and brain homogenates 

Specifications

Sinónimos

A14396 | U6CL98GLP4 | A857288 | EX-A1310 | MFCD28167826 | AS-75090 | HMS3873G13 | NCGC00356145-11 | WHO 10815 | CB839; CB 839 pound>>Telaglenastat,

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Glutaminase kidney isoform, mitochondrial inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 3.6

Nombres e identificadores

• Pubchem Sid: 488202265
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202265
• Sonrisas canónicas: C1=CC=NC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)OC(F)(F)F
• IUPAC Name: N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
• InChIKey: PRAAPINBUWJLGA-UHFFFAOYSA-N
• INCHI: 1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38)
• Isómeros SMILES: C1=CC=NC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)OC(F)(F)F
• Peso molecular: 571.57
• Reaxy-Rn: 23710292
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23710292&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Phenoxy compounds Phenol ethers N-arylamides Pyridines and derivatives Pyridazines and derivatives Imidolactams Thiadiazoles Heteroaromatic compounds Trihalomethanes Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylacetamide - Phenoxy compound - Phenol ether - N-arylamide - Pyridazine - Pyridine - Imidolactam - Azole - Thiadiazole - Heteroaromatic compound - Carboxamide group - Trihalomethane - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Halomethane - Alkyl halide - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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

Objetivos asociados (humanos)

GLS Tchem Glutaminase kidney isoform, mitochondrial (17 Activities)

Discover Target: GLS

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

CAKI-1 (44928 Activities)

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

HT-1080 (3966 Activities)

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

NCI-H358 (882 Activities)

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

RPMI-8226 (44974 Activities)

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

A549 (127892 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

NCI-H460 (60772 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

HCC1806 (544 Activities)

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

NCI-H1650 (1118 Activities)

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

NCI-H1703 (410 Activities)

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

NCI-H2122 (340 Activities)

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

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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

HCC827 (1172 Activities)

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

JIMT-1 (237 Activities)

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

MDA-MB-436 (532 Activities)

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

GLUD1 Glutamate dehydrogenase (27 Activities)

Discover Target: GLUD1

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

H22 (575 Activities)

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

CT26 (928 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

Liver microsome (341 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly, Sonicated), DMSO (Slightly, Sonicated), Methanol (Slightly
• Sensibilidad: light sensitive
• Punto de fusión (°C): 186- 189° C
• Peso molecular: 571.600 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 571.161 Da
• Monoisotopic Mass: 571.161 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 812.000
• 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

Referencias

1. Haofan Hu, Shangwu Ning, Furong Liu, Ze Zhang, Weifeng Zeng, Yachong Liu, Zhibin Liao, Hongwei Zhang, Zhanguo Zhang.  (2025)  Hafnium Metal–Organic Framework-Based Glutamine Metabolism Disruptor For Potentiating Radio-Immunotherapy in MYC-Amplified Hepatocellular Carcinoma.  ACS Applied Materials & Interfaces,      [PMID:40116395] [10.1021/acsami.4c21998]

2. Benjian Gao, Dongning Zheng, Hong Liu, Yu Guo, Yuntao Ye, Zhou Chen, Fengyi Yang, Jie Liu, Guangnian Zhang, Guoying Feng, Yongfa Liu, Qiang Wang, Song Su, Xiaoli Yang, Bo Li.  (2025)  Asparagine synthetase modulates glutaminase inhibitor sensitivity through metabolic reprogramming and serves as a prognostic biomarker in hepatocellular carcinoma.  Redox Biology,      [PMID:40779838] [10.1016/j.redox.2025.103813]

3. Zhen Li, Fang Li, Wang Song, Chun-mei Long, Xin Zeng, Wen-kai Guo, Bin Chen, Tai-xin Jia, Li Lu.  (2026)  Ampelopsin preserves glutamate homeostasis against cerebral ischemia.  BIOMEDICINE & PHARMACOTHERAPY,      [PMID:41529512] [10.1016/j.biopha.2026.119002]

4. Ruo-Yun Zhang, Wei Yue, Yang Xuan, Long Qi, Lin-Lin Guo, Zhen-Zhen Zhu, Ming Yang, Zhang-Jie Pu, Guo-Qiang Li, Xin-Yi Mao, Ding Zhou, Zhao-Wei Zhang.  (2026)  Injectable anti-inflammatory nanofiber hydrogel reprograms immunosuppressive tumor microenvironment via cascade-amplified immunogenic cell death.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.173232]