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AGI-5198 - ≥98%, high purity , CAS No.1355326-35-0, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1

Moligand™

≥98%

CAS#: 1355326-35-0
Formula: C₂₇H₃₁FN₄O₂
Molecular Weight: 462.56
PubChem CID: 56645356

Item Number

A126546

Grouped product items
SKU	Size	Availability	Price
A126546-5mg	5mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$11.90
A126546-25mg	25mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$48.90
A126546-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$162.90

Potent and selective inhibitor of mutant isocitrate dehydrogenase 1 (mIDH1)

View related series

Isocitrate Dehydrogenase (IDH) isocitrate dehydrogenase (NADP(+)) 1 Inhibitor Metabolic Enzyme/Protease

Basic Description

Synonyms	HMS3653K15 \| N-cyclohexyl-2-(N-(3-fluorophenyl)-2-(2-methyl-1H-imidazol-1-yl)acetamido)-2-o-tolylacetamide \| AKOS026674117 \| AGI 5198 \| 1355326-35-0 \| SMR004701328 \| NSC773096 \| NSC-773096 \| SW220036-1 \| CS-1429 \| DTXSID30718166 \| EX-A171 \| FT-0768624 \| A
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Potent and selective inhibitor of mutant isocitrate dehydrogenase 1 (mIDH1; IC50= 70 nM). Selective for mIDH1 over wild-type IDH1 and IDH2. Inhibits production of oncometabolite D-2 hydroxyglutarate. Attenuates growth of glioma cells containing mIDH1, but
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of isocitrate dehydrogenase (NADP(+)) 1
Product Description	AGI-5198 is the first highly potent and selective inhibitor of IDH1 R132H/R132C mutants with IC50 of 0.07 μM/0.16 μM. AGI-5198(IDH C35) is a novel R132H-IDH1 inhibitor, identified through a high-throughput screen blocked R132H-IDH1 activity in a dose-dependent manner.

Associated Targets(Human)

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (16 Activities)

Discover Target: IDH1

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

HT-1080 (3966 Activities)

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

MCF7 (126967 Activities)

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

U-87 MG (3946 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

Liver microsomes (16955 Activities)

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

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Gck Hexokinase type IV (278 Activities)

Discover Target: Gck

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

Mus musculus (284745 Activities)

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

MDCK (10148 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

Plasma (328 Activities)

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

Idh2 Isocitrate dehydrogenase [NADP], mitochondrial (1 Activities)

Discover Target: Idh2

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

SARS-CoV-2 (38078 Activities)

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

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	N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
INCHI	InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)
InChi Key	FNYGWXSATBUBER-UHFFFAOYSA-N
Canonical SMILES	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C
Isomeric SMILES	CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C
WGK Germany	3
PubChem CID	56645356
Molecular Weight	462.56

Database links

PubChem CID	56645356
ChEMBL Ligand	CHEMBL2180727
CAS Registry No.	1355326-35-0

Certificates

Certificate of Analysis(COA)

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3 results found

Lot Number	Certificate Type	Date	Item
D1605076	Certificate of Analysis	Sep 12, 2023	A126546
A1819041	Certificate of Analysis	Jun 08, 2023	A126546
A1819042	Certificate of Analysis	Jun 08, 2023	A126546

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 23.13, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 4.63, Max Conc. mM: 10

Safety and Hazards(GHS)

Pictogram(s)	GHS06
Signal	Danger
Hazard Statements	H301:Toxic if swallowed
Precautionary Statements	P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P316:IF SWALLOWED: Get emergency medical help immediately.
WGK Germany	3

References

1. Rohle D, Popovici-Muller J, Palaskas N, Turcan S, Grommes C, Campos C, Tsoi J, Clark O, Oldrini B, Komisopoulou E et al.. (2013) An inhibitor of mutant IDH1 delays growth and promotes differentiation of glioma cells.. Science, 340 (6132): (626-30). [PMID:23558169] [10.1021/op500134e]

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AGI-5198 - ≥98%, high purity , CAS No.1355326-35-0, Inhibitor of isocitrate dehydrogenase (NADP(+)) 1

Basic Description

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Safety and Hazards(GHS)

Related Documents

References

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator