![4-[[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino]benzenesulfonamide structure, CAS 443797-96-4](/structures/60000/57219_1_443797_96_4.png)
CAS Number443797-96-4
Synonyms4-{[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino}benzenesulfonamide; 3ama; JNJ-7706621
Molecular FormulaC15H12F2N6O3S
Molecular Weight394.36
Purity≥97 (HPLC)%
Density1.7±0.1 g/cm3
Boiling Point676.6±65.0 °C at 760 mmHg
Melting Point149-155ºC
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 443797-96-4 |
| Catalog No. | 2A-9057219 |
| Chinese Name | 4-[[5-氨基-1-(2,6-二氟苯甲酰基)-1H-1,2,4-三唑-3-基]氨基]苯磺酰胺 |
| Synonyms | 4-{[5-Amino-1-(2,6-difluorobenzoyl)-1H-1,2,4-triazol-3-yl]amino}benzenesulfonamide; 3ama; JNJ-7706621 |
| Molecular Formula | C15H12F2N6O3S |
| Molecular Weight | 394.36 |
| Purity | ≥97 (HPLC) |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 676.6±65.0 °C at 760 mmHg |
| Melting Point | 149-155ºC |
| Appearance | solid |
| Water Solubility | Soluble in DMSO at 15mg/ml |
| Storage Condition | -20℃ |
| Application | JNJ-7706621 is a potent aurora kinase inhibitor that can effectively inhibit both CDK1 and CDK2. The IC50 values for CDK1, CDK2, Aurora-A and Aurora-B are 9, 3, 11 and 15 nM respectively. |
| HTC | 2935009090 |
| MDL Number | MFCD11100270 |
| SMILES | Fc1c(c(ccc1)F)C(=O)N2NC(=NC2=N)Nc3ccc(cc3)[S](=O)(=O)N |
| InChI | 1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) |
| InChI Key | KDKUVYLMPJIGKA-UHFFFAOYSA-N |
| NACRES Code | NA.54 |
| UNSPSC | 12352202 |
| MSDS | msds/57219_1_443797_96_4.pdf |
| Use of | JNJ-7706621 is a potent aurora kinase inhibitor, and also inhibits CDK1 and CDK2, with IC50s of 9, 3, 11, and 15 nM for CDK1, CDK2, Aurora-A and Aurora-B, respectively. Properties Name 4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide Synonym More Synonyms JNJ-7706621 Biological Activity Description JNJ-7706621 is a potent aurora kinase inhibitor, and also inhibits CDK1 and CDK2, with IC50s of 9, 3, 11, and 15 nM for CDK1, CDK2, Aurora-A and Aurora-B, respectively. Related Catalog Research Areas >> Cancer Aurora A:11 nM (IC50) Aurora B:15 nM (IC50) VEGF-R1:6400 nM (IC50) VEGF-R2:154 nM (IC50) VEGF-R3:735 nM (IC50) FGF-R1:575 nM (IC50) FGF-R2:226 nM (IC50) GSK3β:254 nM (IC50) References [1]. Huang S, et al. Synthesis and evaluation of N-acyl sulfonamides as potential prodrugs of cyclin-dependent kinase inhibitor JNJ-7706621. Bioorg Med Chem Lett. 2006 Jul 15;16(14):3639-41. Epub 2006 May 6. [2]. Matsuhashi A, et al. Growth suppression and mitotic defect induced by JNJ-7706621, an inhibitor of cyclin-dependent kinases and aurora kinases. Curr Cancer Drug Targets. 2012 Jul;12(6):625-39. [3]. Danhier F, et al. Active and passive tumor targeting of a novel poorly soluble cyclin dependent kinase inhibitor, JNJ-7706621. Int J Pharm. 2010 Jun 15;392(1-2):20-8. [4]. Emanuel S, et al. The in vitro and in vivo effects of JNJ-7706621: a dual inhibitor of cyclin-dependent kinases and aurora kinases. Cancer Res. 2005 Oct 1;65(19):9038-46. Chemical & Physical Properties Molecular Formula C15H12F2N6O3S Exact Mass 394.065979 PSA 154.37000 Index of Refraction 1.724 InChIKey KDKUVYLMPJIGKA-UHFFFAOYSA-N Storage condition -20℃ Safety Information HS Code 2935009090 Synthetic Route 2,6-Difluoroben... CAS#:172935-91-0 Diphenyl cyanoc... CAS#:79463-77-7 Sulfanilamide CAS#:63-74-1 JNJ-7706621 CAS#:443797-96-4 2,6-Difluoroben... CAS#:172935-91-0 N-[4-(aminosulf... CAS#:700805-72-7 JNJ-7706621 CAS#:443797-96-4 4-(5-amino-1H-[... CAS#:443799-31-3 2,6-Difluoroben... CAS#:18063-02-0 JNJ-7706621 CAS#:443797-96-4 Literature: Lin, Ronghui; Connolly, Peter J.; Huang, Shenlin; Wetter, Steven K.; Lu, Yanhua; Murray, William V.; Emanuel, Stuart L.; Gruninger, Robert H.; Fuentes-Pesquera, Angel R.; Rugg, Catherine A.; Middleton, Steven A.; Jolliffe, Linda K. Journal of Medicinal Chemistry, 2005 , vol. 48, # 13 p. 4208 - 4211 Precursor & DownStream Precursor 7 CAS#:172935-91-0 2,6-Difluoroben... CAS#:79463-77-7 Diphenyl cyanoc... CAS#:63-74-1 Sulfanilamide CAS#:700805-72-7 N-[4-(aminosulf... DownStream 0 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 35.0% |
| Transport Info | Product name: Summary 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
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