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Alternative_name
(1R,2S)-1-(6-Bromo-2-methoxy-3-quinolyl)-4-dimethylamino-2-(1-naphthyl)-1-phenyl-butan-2-ol; TMC207
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Description
Bedaquiline is an anti-tuberculosis drug. Bedaquiline's unique and specific anti-mycobacterial activity derives from inhibition of the proton pump of mycobacterial ATP synthase, which is a critical enzyme in the ATP synthesis of M. tuberculosis. Binding of bedaquiline to the oligomeric and proteolipic subunit-c of mycobacterial ATP synthase leads to inhibition of ATP synthesis, which subsequently results in bacterial death.
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CAS Number
843663-66-1
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Structure Available
Yes
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Salt Form
No
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Molecular Formula
C₃₂H₃₁BrN₂O₂
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Molecular Weight
555.5
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Cell Permeable
Yes
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Purity
≥98% by HPLC
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Solubilities
DMSO
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Handling
Protect from air and light
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Tag Line
An anti-tuberculosis drug and inhibitor of mycobacterial ATP synthase
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Storage Condition
-20°C
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Shipping Condition
gel pack
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Shelf Life
36 months
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PubChem CID
5388906
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SMILES
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
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InChi
InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1
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InChi Key
QUIJNHUBAXPXFS-XLJNKUFUSA-N
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MSDS Available
Yes