Delamanid (OPC-67683) is a novel anti-tuberculosis drug with excellent intracellular bactericidal activity and high rate of accumulation in cells.

 

Brand: BCM

 

Target: Anti-infection; Antibacterial; Antibiotic

 

Signaling Pathways: Microbiology/Virology

 

In vitro: inhibits the synthesisi of mucolic acids, cruciala component of the cell wall of the Mycobacterium tuberculosis complex. In in-vitro studies, delamanid shows more potent antibacterial activity against drug-susceptible and drug-resistant strains of M. tuberculosis. Delamanid do not affect rifampin, pyrazinamide, and isoniazid exposure; the ethambutol AUCτ and Cmax values are about 25% higher with delamanid coadministration.

 

Melting Point: 195-196℃

 

Melting Point: 653.7±65.0 °C(Predicted)

 

Stability: Hygroscopic

 

pKa: 3.99±0.20(Predicted)

 

Solubility: Soluble in DMSO. Insoluble in Water; Insoluble in Ethanol.

 

GHS: GHS07

 

Isomeric SMILES: C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCC(CC4)OC5=CC=C(C=C5)OC(F)(F)F  

 

InChIKey: XDAOLTSRNUSPPH-XMMPIXPASA-N  

 

InChI: InChI=1S/C25H25F3N4O6/c1-24(15-31-14-22(32(33)34)29-23(31)38-24)16-35-18-4-2-17(3-5-18)30-12-10-20(11-13-30)36-19-6-8-21(9-7-19)37-25(26,27)28/h2-9,14,20H,10-13,15-16H2,1H3/t24-/m1/s1 

 

Attribute
[Chem Name]	(2R)-2-methyl-6-nitro-2-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
[Synonym]	Delamanid; OPC-67683
[CAS No.]	681492-22-8
[MDL No.]	MFCD18251539
[Formula]	C25H25F3N4O6
[Molecular]	534.48
[Form]	Off-White to Light Yellow Solid
[Storage]	Sealed in dry, 2-8°C

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