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1623416-31-8

1623416-31-8 Structure

1623416-31-8 Structure
IdentificationBack Directory
[Name]

1H-Benzotriazole-7-carboxylic acid, 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-
[CAS]

1623416-31-8
[Synonyms]

AG-636
1H-Benzotriazole-7-carboxylic acid, 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-
1-Methyl-5-(2'-methyl-[1,1'-biphenyl]-4-yl)-1H-benzo[d][1,2,3]triazole-7-carboxylic acid
inhibit,oral,AG 636,AG-636,reversible,DHODH,anticancer,AG636,Inhibitor,Dihydroorotate Dehydrogenase,DNA/RNA Synthesis
[Molecular Formula]

C21H17N3O2
[MDL Number]

MFCD33023454
[MOL File]

1623416-31-8.mol
[Molecular Weight]

343.38
Chemical PropertiesBack Directory
[Boiling point ]

619.3±43.0 °C(Predicted)
[density ]

1.27±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 31.25 mg/mL (91.01 mM; Need ultrasonic)
[form ]

A solid
[pka]

2.73±0.10(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

AG-636 is a potent, reversible, selective and orally active dihydroorotate dehydrogenase (DHODH) inhibitor with an IC50 of 17 nM. AG-636 has strong anticancer effects[1].
[in vivo]

AG-636 (10-100 mg/kg ; oral gavage; twice daily; for 14 days) treatment results in robust tumor growth inhibition in the OCILY19 DLBCL tumor xenograft model[1].

Animal Model:Transgenic female 6-8-week-old CB17/Icr-Prkdcscid/IcrIcoCrl (CB17 SCID) mice injected with OCILY19 cells[1]
Dosage:10 mg/kg, 30 mg/kg, or 100 mg/kg
Administration:Oral gavage; twice daily; for 14 days
Result:Resulted in robust tumor growth inhibition in xenograft lymphoma tumor models.
[References]

[1] Gabrielle McDonald, et al. Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase. Mol Cancer Ther. 2020 Dec;19(12):2502-2515. DOI:10.1158/1535-7163.MCT-20-0550
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Benzotriazole-7-carboxylic acid, 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-(1623416-31-8)1HNMR
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