| Identification | Back Directory | [Name]
SINOVA SL-02580 | [CAS]
357263-13-9 | [Synonyms]
BMS 806
BMS-806
CS-1404
DCC-2036
SINOVA SL-02580
BMS 806;BMS-806
BMS-806 (BMS 378806)
BMS-806; BMS 378806; BMS 806; BMS378806; BMS806
(R)-1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(4-methoxy-7H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
1-[(2R)-4-Benzoyl-2-methyl-1-piperazinyl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-ethanedione | [Molecular Formula]
C22H22N4O4 | [MDL Number]
MFCD09026945 | [MOL File]
357263-13-9.mol | [Molecular Weight]
406.43 |
| Chemical Properties | Back Directory | [Melting point ]
236 °C | [density ]
1.328 | [storage temp. ]
Store at -20°C | [solubility ]
insoluble in H2O; insoluble in EtOH; ≥20.2 mg/mL in DMSO | [form ]
solid | [pka]
11.99±0.40(Predicted) | [color ]
White to off-white | [InChI]
1S/C22H22N4O4/c1-14-13-25(21(28)15-6-4-3-5-7-15)10-11-26(14)22(29)19(27)16-12-24-20-18(16)17(30-2)8-9-23-20/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)/t14-/m1/s1 | [InChIKey]
OKGPFTLYBPQBIX-CQSZACIVSA-N | [SMILES]
O=C(N1[C@@H](CN(CC1)C(C2=CC=CC=C2)=O)C)C(C3=CNC4=NC=CC(OC)=C34)=O |
| Hazard Information | Back Directory | [Description]
BMS-806 is a small molecule that inhibits the first step of HIV-1 infection by blocking the binding of host cell CD4 with viral gp120 protein. It binds the exterior envelope glycoprotein gp120 (Kd= 21.1 nM; Ki = 24.9 nM), blocking the conformational change that occurs with CD4 binding and preventing fusion of the viral and target cell membranes. BMS-806 is specific to HIV-1 irrespective of chemokine receptor preference, with no activity against HIV-2, SIV, or a panel of additional viruses. | [Uses]
BMS 806 is a small molecular inhibitor of HIV-1 virus which blocks the interaction between gp120 and CD4 cells. | [in vivo]
In toxicology studies, BMS-378806 is well tolerated in rats at doses of 100 mg/kg/day for 2 weeks and in dogs at doses of 90 mg/kg for 10 days. The dose-proportional increases in the AUC and Cmax are observed between doses of 5 and 25 mpk, when BMS-378806 is administered either in the solution or suspension formulation. In all three species, plasma levels of drug exceeded the concentrations required to half-maximally inhibit virus replication in vitro. The volume of distribution of BMS-378806 ranges from 0.4 to 0.6 L/kg, indicative of partitioning beyond plasma; however, examination of brain levels in the rat reveals minimal CNS penetration[1]. | [target]
CD4-gp120 interactions | [IC 50]
HIV-1; HIV-2 | [storage]
Store at -20°C | [References]
[1] wang t1, zhang z, wallace ob, deshpande m, fang h, yang z, zadjura lm, tweedie dl, huang s, zhao f, ranadive s, robinson bs, gong yf, ricarrdi k, spicer tp, deminie c, rose r, wang hg, blair ws, shi py, lin pf, colonno rj, meanwell na. discovery of 4-benzoyl-1-[(4-methoxy-1h- pyrrolo[2,3-b]pyridin-3-yl)oxoacetyl]-2- (r)-methylpiperazine (bms-378806): a novel hiv-1 attachment inhibitor that interferes with cd4-gp120 interactions. j med chem. 2003 sep 25;46(20):4236-9. |
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| Company Name: |
NCE Biomedical Co.,Ltd.
|
| Telephone: |
4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15748/0_EN.htm |
| Company Name: |
SPIRO PHARMA
|
| Telephone: |
|
| Website: |
www.spiropharma.com.cn |
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