| Identification | Back Directory | [Name]
GSK1324726A (I-BET726) | [CAS]
1300031-52-0 | [Synonyms]
CS-1736
I-BET726
GSK1324726A
I-BET726; I-BET 726
GSK1324726A (I-BET726)
GSK1324726A (I-BET726) USP/EP/BP
4-(cis-1-Acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid
4-((2S,4R)-1-acetyl-4-(4-chlorophenylamino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid
4-[(2S,4R)-1-Acetyl-4-[(4-chlorophenyl)amino]-1,2,3,4-tetrahydro-2-methyl-6-quinolinyl]benzoic acid
4-[(2S,4R)-1-Acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl]benzoic acid
Benzoic acid, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-1,2,3,4-tetrahydro-2-methyl-6-quinolinyl]- | [Molecular Formula]
C25H23ClN2O3 | [MDL Number]
MFCD28144683 | [MOL File]
1300031-52-0.mol | [Molecular Weight]
434.915 |
| Chemical Properties | Back Directory | [Boiling point ]
707.3±60.0 °C(Predicted) | [density ]
1.304±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
insoluble in H2O; ≥1.87 mg/mL in EtOH with gentle warming and ultrasonic; ≥17.7 mg/mL in DMSO | [form ]
Powder | [pka]
4.20±0.10(Predicted) | [InChIKey]
FAWSUKOIROHXAP-NPMXOYFQSA-N | [SMILES]
C(O)(=O)C1=CC=C(C2C=CC3=C(C=2)[C@H](NC2=CC=C(Cl)C=C2)C[C@H](C)N3C(C)=O)C=C1 |
| Hazard Information | Back Directory | [Description]
I-BET726 is an inhibitor of BET family proteins that binds BRD2, BRD3, and BRD4 with high affinity (IC50s = 41, 31, and 22 nM, respectively) and competes with tetra-acetylated histone 4 peptides for binding to the bromodomains of these proteins.1,2 It exhibits >1,000-fold selectivity for these proteins over other bromodomain-containing homologs.2 I-BET726 inhibits cell growth and induces cytotoxicity in neuroblastoma cell lines by modulating the expression of genes involved in apoptosis and Myc signaling.2 I-BET726 can be administered orally to animals, and it reduces tumor growth in mouse xenograft models of human neuroblastoma.2 | [target]
BRD2 | [References]
[1] wyce a, ganji g, smitheman kn, chung cw, korenchuk s, bai y, barbash o, le b, craggs pd, mccabe mt, kennedy-wilson km, sanchez lv, gosmini rl, parr n, mchugh cf, dhanak d, prinjha rk, auger kr, tummino pj. bet inhibition silences expression of mycn and bcl2 and induces cytotoxicity in neuroblastoma tumor models. plos one. 2013 aug 23;8(8):e72967. |
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| Company Name: |
SPIRO PHARMA
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| Tel: |
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| Website: |
www.spiropharma.com.cn |
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