| Identification | Back Directory | [Name]
(S)-A-METHYL-A-[[[(4-NITROPHENYL)AMINO]CARBONYL]AMINO]-N-[[1-(2-PYRIDINYL)CYCLOHEXYL]METHYL]-1H-INDOLE-3-PROPANAMIDE | [CAS]
204066-82-0 | [Synonyms]
PD 168368
(2S)-3-(1H-INDOL-3-YL)-2-METHYL-2-[(4-NITROPHENYL)CARBAMOYLAMINO]-N-[(1-PYRIDIN-2-YLCYCLOHEXYL)METHYL]PROPANAMIDE
(S)-α-Methyl-α-[[[(4-nitrophenyl)amino]carbonyl]amino]-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-1H-indole-3-propanamide
(S)-A-METHYL-A-[[[(4-NITROPHENYL)AMINO]CARBONYL]AMINO]-N-[[1-(2-PYRIDINYL)CYCLOHEXYL]METHYL]-1H-INDOLE-3-PROPANAMIDE
1H-Indole-3-propanamide, α-methyl-α-[[[(4-nitrophenyl)amino]carbonyl]amino]-N-[[1-(2-pyridinyl)cyclohexyl]methyl]-, (αS)- | [Molecular Formula]
C31H34N6O4 | [MDL Number]
MFCD09971100 | [MOL File]
204066-82-0.mol | [Molecular Weight]
554.64 |
| Chemical Properties | Back Directory | [Boiling point ]
819.7±65.0 °C(Predicted) | [density ]
1.300±0.06 g/cm3(Predicted) | [storage temp. ]
Store at +4°C | [solubility ]
DMF: 10 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.3 mg/ml | [form ]
A crystalline solid | [pka]
11.60±0.46(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
PD 168368 is a potent, competitive, and selective neuromedin B receptor (NMB-R) antagonist with the Ki of 15–45 nM[1]. PD 168368 is neuromedin B receptor (NMBR; IC50=96 nM) / gastrin-releasing peptide receptor (GRPR IC50=3500 nM) antagonist[2]. PD 168368 also is a mixed FPR1/FPR2/FPR3 agonist with EC50s of 0.57, 0.24, and 2.7 nM, respectively[3]. | [Biological Activity]
Potent neuromedin B receptor antagonist (NMB-R, BB 1 ) (IC 50 = 40 nM) that displays ~ 40-fold selectivity over the gastrin-releasing peptide receptor (GRP-R, BB 2 ) and > 300-fold selectivity over BRS-R (bb 3 ). Antagonizes neuromedin B-stimulated calcium release and inhibits proliferation of rat glioma cells (IC 50 = 2 μ M). | [in vivo]
PD 168368 (PD168368) potently inhibits in vivo metastasis of breast cancer. PD 168368 (1.2 mg/kg; intraperitoneal injection for 30 days) inhibits metastasis of breast cancer in mice[4]. | Animal Model: | Female BALB/c-nude mice (age 8-10 weeks) bearing MDA-MB-231 xenograft model[4] | | Dosage: | 1.2 mg/kg | | Administration: | Intraperitoneal injection for 30 days | | Result: | No metastatic tumor nodules were observed in lungs of PD 168368-treated mice compared to PEG-injected mice.
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| [storage]
Store at -20°C | [References]
[1] R R Ryan, et al. Comparative pharmacology of the nonpeptide neuromedin B receptor antagonist PD 168368. J Pharmacol Exp Ther. 1999 Sep;290(3):1202-11. PMID:10454496
[2] K Tokita, et al. Tyrosine 220 in the 5th transmembrane domain of the neuromedin B receptor is critical for the high selectivity of the peptoid antagonist PD168368. J Biol Chem. 2001 Jan 5;276(1):495-504. DOI:10.1074/jbc.M006059200
[3] Igor A Schepetkin, et al. Gastrin-releasing peptide/neuromedin B receptor antagonists PD176252, PD168368, and related analogs are potent agonists of human formyl-peptide receptors. Mol Pharmacol. 2011 Jan;79(1):77-90. DOI:10.1124/mol.110.068288
[4] Hyun-Joo Park, et al. Neuromedin B receptor antagonism inhibits migration, invasion, and epithelial-mesenchymal transition of breast cancer cells. Int J Oncol. 2016 Sep;49(3):934-42. DOI:10.3892/ijo.2016.3590 |
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