SML4007
TMC207
≥98% (HPLC)
Synonym(s):
(αS,βR)-6-Bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-quinolineethanol, (1R, 2S)-1-(6-Bromo-2methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthalenyl)-1-phenyl-2-butanol, Bedaquiline, R 207910, R-207910, R207910
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About This Item
Empirical Formula (Hill Notation):
C32H31BrN2O2
CAS Number:
Molecular Weight:
555.50
UNSPSC Code:
51111800
MDL number:
NACRES:
NA.21
Quality Level
assay
≥98% (HPLC)
form
powder
optical activity
[α]/D 195.0 to 155.0° (c = 0.5g/100mL in DMF)
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
-10 to -25°C
SMILES string
BrC(C=C1)=CC2=C1N=C(OC)C([C@@H](C3=CC=CC=C3)[C@](O)(C4=CC=CC5=C4C=CC=C5)CCN(C)C)=C2
InChI key
QUIJNHUBAXPXFS-XLJNKUFUSA-N
Biochem/physiol Actions
Potent and selective mycobacterial ATP synthase inhibitor with broad-spectrum anti-mycobacterial activity.
TMC207 (Bedaquiline; R207910) is an orally active, potent and selective mycobacterial ATP synthase inhibitor (M. smegmatis IC50 = 2.5 nM or 1.4 ng (non-salt form)/mL; human mitochondrial ATP syntase IC50 >200 uM) with broad-spectrum anti-mycobacterial activity (MIC 10-120 ng/mL), including M. bovis, avium complex (MAC), kansasii, marinum, fortuitum, abscessus, smegmatis, ulcerans, and both drug-susceptible and multiple drug-resistant M. tuberculosis strains (to rigampin, isoniazid, streptomycin, ethambutol, pyrazinamide, fluoroquinolone).
TMC207 (Bedaquiline; R207910) is an orally active, potent and selective mycobacterial ATP synthase inhibitor (M. smegmatis IC50 = 2.5 nM or 1.4 ng (non-salt form)/mL; human mitochondrial ATP syntase IC50 >200 uM) with broad-spectrum anti-mycobacterial activity (MIC 10-120 ng/mL), including M. bovis, avium complex (MAC), kansasii, marinum, fortuitum, abscessus, smegmatis, ulcerans, and both drug-susceptible and multiple drug-resistant M. tuberculosis strains (to rigampin, isoniazid, streptomycin, ethambutol, pyrazinamide, fluoroquinolone).
signalword
Warning
hcodes
pcodes
Hazard Classifications
Aquatic Chronic 1
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| SML4007-10MG | 04065271187399 |
| SML4007-50MG | 04065271189904 |