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GSK321 - 99%, high purity , CAS No.1816331-63-1

COA

Grade & Purity:

≥99%

Cas Number: 1816331-63-1
Molecular Weight: 501.55
PubChem CID: 91864709

In stock

Item Number

G646323

Grouped product items
SKU	Size	Availability	Price
G646323-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$150.90
G646323-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$250.90
G646323-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$550.90
G646323-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$950.90

View related series

Isocitrate Dehydrogenase (IDH) (30) Lipid metabolism (1912) Metabolic Enzyme/Protease (4860)

Basic Description

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	GSK321 is a potent inhibitor of mutant isocitrate dehydrogenase 1 (IDH1) enzymes . GSK321 has high inhibitory and selectivity for mutant IDH1 enzymes. GSK321 can be used for the research of acute myeloid leukemia.
Storage Temp	Protected from light,Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	GSK321 is a potent inhibitor of mutant isocitrate dehydrogenase 1 (IDH1) enzymes . GSK321 has high inhibitory and selectivity for mutant IDH1 enzymes. GSK321 can be used for the research of acute myeloid leukemia In Vitro GSK321 has high inhibitory for mutant IDH1 enzymes, with IC 50 values of 4.6 nM against R132H, 3.8 nM against R132C and 2.9 nM against R132G, respectively. GSK321 (0, 0.5, 5 μM; 48 h) induces markedly decreased H3K9me2 levels. GSK321 decreases intracellular 2-HG and affects proliferation of primary IDH1 mutant AML cells. GSK321 has inhibition activity for mutant IDH1 that overcomes the pathognomonic differentiation block of AML cells, and induces myeloid differentiation of IDH1 mutant cells at the level of leukemic blasts and more stem-like cells. GSK321 leads to genome-wide DNA cytosine hypomethylation in IDH1-mutant AML cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: HT-1080 cells Concentration: 0, 0.5, 5 μM Incubation Time: 48 h Result: Lead to the reduction of histone H3K9 dimethylation (H3K9me2). Cell Proliferation AssayCell Line: IDH1 mutant AML cells Concentration: 3 μM Incubation Time: 15 days Result: Showed a significant, initial increase in cell numbers (2-fold to 15-fold) in IDH1 mutant AML cells. Cell Cycle AnalysisCell Line: IDH1 mutant AML cells Concentration: Incubation Time: 7 days Result: Observed a reproducible and significant decrease in quiescent (G0)-phase cells in R132G IDH1 and R132C IDH1 AML cells. Form:Solid IC50& Target:IC50 for mutant IDH1 enzymes: 4.6 nM (R132H), 3.8 nM (R132C), 2.9 nM (R132G)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic anilides
Alternative Parents	Pyridinecarboxamides 2-heteroaryl carboxamides Pyrazole-5-carboxamides Pyrrole carboxamides Fluorobenzenes Substituted pyrroles Aryl fluorides Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aromatic anilide - Pyridinecarboxamide - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrazole-5-carboxamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Azole - Pyrazole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
External Descriptors	Not available
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

Associated Targets(Human)

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (7 Activities)

Discover Target: IDH1

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
INCHI	InChI=1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/m1/s1
InChIKey	IVFDDVKCCBDPQZ-MSOLQXFVSA-N
Smiles	CC1CN(CC2=C1N(N=C2C(=O)NC3=CC=CC(=C3)C(C)O)CC4=CC=C(C=C4)F)C(=O)C5=CC=CN5
Isomeric SMILES	C[C@@H]1CN(CC2=C1N(N=C2C(=O)NC3=CC=CC(=C3)[C@H](C)O)CC4=CC=C(C=C4)F)C(=O)C5=CC=CN5
PubChem CID	91864709
Molecular Weight	501.55

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 250 mg/mL (498.45 mM; Need ultrasonic)
Molecular Weight	501.600 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	501.218 Da
Monoisotopic Mass	501.218 Da
Topological Polar Surface Area	103.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	809.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

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