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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
Assay:
≥98% (HPLC)
Form:
powder
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Quality Segment

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).


pictograms

Environment

signalword

Warning

hcodes

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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