CAS Number906673-24-3
SynonymsAN2728; AN-2728; Crisaborole; UNII-Q2R47HGR7P; 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile; 4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile; 4-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]benzonitrile
Molecular FormulaC14H10BNO3
Molecular Weight251.05
Purity≥98 (HPLC)%
Density1.3±0.1 g/cm3
Boiling Point425.9±55.0 °C at 760 mmHg
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 906673-24-3 |
| Catalog No. | 2A-9068653 |
| Chinese Name | 克立硼罗 |
| Synonyms | AN2728; AN-2728; Crisaborole; UNII-Q2R47HGR7P; 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile; 4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile; 4-[(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]benzonitrile |
| Molecular Formula | C14H10BNO3 |
| Molecular Weight | 251.05 |
| Purity | ≥98 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 425.9±55.0 °C at 760 mmHg |
| Appearance | powder |
| Storage Condition | -20°C |
| Application | Crisaborole (AN-2728) is a potent inhibitor of PDE4 and cytokine release, with an IC50 value of 0.49 μM for inhibiting PDE4. |
| HTC | 2926909090 |
| MDL Number | MFCD17169940 |
| SMILES | OB1OCC2=C1C=CC(OC3=CC=C(C#N)C=C3)=C2 |
| InChI | 1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2 |
| InChI Key | USZAGAREISWJDP-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/68653_1_906673_24_3.pdf |
| Use of | Crisaborole (AN-2728) is a potent inhibitor of PDE4 and cytokine release; inhibit PDE4 with an IC50 of 0.49 μM. Properties Name 4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzonitrile Synonym More Synonyms AN-2728 Biological Activity Description Crisaborole (AN-2728) is a potent inhibitor of PDE4 and cytokine release; inhibit PDE4 with an IC50 of 0.49 μM. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphodiesterase (PDE) Research Areas >> Inflammation/Immunology IC50: 0.49 μM (PDE4)[1] References [2]. Nazarian R, et al. AN-2728, a PDE4 inhibitor for the potential topical treatment of psoriasis and atopic dermatitis. Curr Opin Investig Drugs. 2009 Nov;10(11):1236-42. [3]. Nazarian R, et al. AN-2728, a PDE4 inhibitor for the potential topical treatment of psoriasis and atopic dermatitis. Curr Opin Investig Drugs. 2009 Nov;10(11):1236-42. Chemical & Physical Properties Molecular Formula C14H10BNO3 Exact Mass 251.075378 PSA 62.48000 LogP 1.56828 Index of Refraction 1.629 InChIKey USZAGAREISWJDP-UHFFFAOYSA-N Safety Information HS Code 2926909090 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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