Doramapimod
Doramapimod
CAS: 285983-48-4
Molecular Formula: C31H37N5O3
Doramapimod - Names and Identifiers
| Name | Doramapimod |
| Synonyms | CS-379 CS-1863 BIRB 796 BIRB796 BIBR-796 BIRB-796 Doramapimod 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea 1-[2-(4-Methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea 1-(3-(1,1-Dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-(morpholin-4-yl)ethoxy)naphthalen-1-yl)urea |
| CAS | 285983-48-4 |
| EINECS | 1308068-626-2 |
| InChI | InChI=1/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) |
Doramapimod - Physico-chemical Properties
| Molecular Formula | C31H37N5O3 |
| Molar Mass | 527.66 |
| Density | 1.20±0.1 g/cm3(Predicted) |
| Melting Point | 142-143 °C |
| Boling Point | 631.6±55.0 °C(Predicted) |
| Flash Point | 335.8°C |
| Solubility | Soluble in DMSO (~25 mg/ml), water (poorly soluble), ethanol (~3 mg/ml), and DMF (~25 |
| Vapor Presure | 7.36E-16mmHg at 25°C |
| Appearance | solid |
| Color | White or off-white |
| pKa | 13.47±0.70(Predicted) |
| Storage Condition | Sealed in dry,Store in freezer, under -20°C |
| Stability | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 2 months. |
| Refractive Index | 1.619 |
| Use | A p38α MAPK and JNK2 |
| In vitro study | BIRB 796 acts on ERK-1,SYK,IKK2β,ZAP-70,EGFR kinase, HER2, protein kinase A(PKA),PKC,PKC-α,PKC-β(I and II) and PKC-γ had no significant inhibitory effect. The BIRB 796 significantly increases affinity by forming a hydrogen bond between the morpholine oxygen and the ATP-binding domain of p38α. The BIRB 796 is one of the most potent and slowest isolated inhibitors of p38 MAPK in humans. BIRB 796 effectively inhibit c-Raf-1 and Jnk2α2 with IC50 of 1.4 and 0.1 nM, respectively. High concentrations of BIRB796 also inhibited the activity and activation of SAPK3/p38γ. BIRB796 blocks pressure-induced phosphorylation of the framework protein SAP97, a substrate for SAPK3/p38γ. BIRB796 acts on HEK293 cells and blocks JNK1/2 activation and activity, while it acts on Hela cells and does not inhibit ERK1/ERK2 activation and activity. Furthermore, binding of BIRB796 to p38 MAPKs or JNK1/2 decreased upstream kinase MKK6 or MKK4 phosphorylation without enhancing dephosphorylation. BIRB 796 acts on BMSCs induced by TNF-α and TGF-β1 and down-regulates IL-6 and VEGF secretion. BIRB-796 has a pyrazole ring, the lipophilic terminal isobutyl group binds to the low selectivity site, and the tolyl ring binds to the high selectivity site. BIRB-796 also inhibited B- Raf and Abl with IC50 of 83 nM and 14.6 μm, respectively. |
| In vivo study | BIRB 796 at a dose of 30 mg/kg inhibited TNF-α by 84% in LPS-stimulated mice. It shows high efficacy in rats with collagen-induced arthritis. BIRB 796 oral treatment to rats, with good pharmacokinetic characteristics. |
Doramapimod - Introduction
BIRB 796 (Doramapimod) is a highly selective p38α MAPK inhibitor, Kd is 0.1 nM, which is 330 times more selective than acting on JNK2. It weakly inhibits c-RAF, Fyn and Lck, and also weakly inhibits ERK-1, SYK, IKK2, ZAP-70, EGFR, HER2, PKA, PKC, PKC α/β/γ.
Last Update：2022-10-16 17:24:15
Doramapimod - Reference Information
| biological activity | BIRB 796 (Doramapimod) is a highly selective p38α MAPK inhibitor, Kd is 0.1 nM, which is 330 times more selective than JNK2, weakly inhibits c-RAF, Fyn and Lck, and also weakly inhibits ERK-1, SYK, IKK2, ZAP-70, EGFR, HER2, PKA, PKC, PKC α/β/γ. Doramapimod (BIRB 796) is a pan-p38 MAPK inhibitor. in cell-free test, the IC50 acting on p38α/β/γ/δ is 38 nM,65 nM,200 nM and 520 nM respectively, and can bind to p38α. in THP-1 cells, Kd is 0.1 nM, which is 330 times higher than that acting on JNK2, which is more selective than c-RAF, fyn and Lck have weak inhibitory effects, and also have weak inhibitory effects on ERK-1,SYK,IKK2. |
| features | BIRB 796 is the first p38 MAPK inhibitor to enter phase III clinical trials. |
| Target | Value |
| JNK2 () | |
| c-RAF () | |
| Fyn () | |
| p38α (Cell-free assay) | 0.1 nM(Kd) |
| p38α () | 38 nM |
Last Update：2024-04-09 20:52:54
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QQ: 2881950922
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Multiple SpecificationsSpot supply
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Tel: 609-228-6898
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