PA-824 100mg

CAT: 0628-A11401-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A11401-100Size:100 mg

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CAS Number

187235-37-6

Chemical Information

Pretomanid

Persistent forms of tuberculosis (TB) have proven to be a major cause of global morbidity and mortality and a cause for significant concern. Research in recent years has been geared toward the development of novel therapies that target persistent forms of this disease, which have shown resistance to standard therapy regimens. Pretomanid is an antimycobacterial agent that is administered with [Bedaquiline] and [Linezolid] to treat resistant forms of pulmonary TB. It was the first TB drug developed by a nonprofit organization, known as TB Alliance, and was granted FDA approval on August 14, 2019. Unlike other therapeutic regimens for the treatment of resistant TB, which may take 18 months or longer and may not be effective, the pretomanid-containing regimen allows for a more efficacious and shorter duration of treatment with fewer drugs.

CAS Number	187235-37-6
PubChem CID	456199
IUPAC Name	(6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Molecular Formula	C14H12F3N3O5
Molecular Weight	359.26
XLogP	2.8
Topological Polar Surface Area	91.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	468

SMILES

C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1

InChIKey

ZLHZLMOSPGACSZ-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 187235-37-6

CID: 456199

Formula: C14H12F3N3O5

MW: 359.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	359.26
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	359.07290498
Monoisotopic Mass	359.07290498
Topological Polar Surface Area	91.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	468
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19163398-01	PA-824
B3033-5	Pretomanid (PA-824)
286633-01	S-PA 824
MBS385881-01	PA-824 (Pretomanid)
TRC-P122500-50MG	(S)-PA 824 (Pretomanid)

PA-824 100mg

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