Bedaquiline HCl

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 564297

CAS#: Unknown (HCl)

Description: Bedaquiline, also known as TMC207 and R207910, is a diarylquinoline anti-tuberculosis drug, which was discovered by a team led by Koen Andries at Janssen Pharmaceutica. Bedaquiline blocks the proton pump for ATP synthase of mycobacteria. ATP production is required for cellular energy production and its loss leads to cell death, even in dormant or nonreplicating mycobacteria.It is the first member of a new class of drugs called the diarylquinolines. Bedaquiline is bactericidal.


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Bedaquiline HCl is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 564297
Name: Bedaquiline HCl
CAS#: Unknown (HCl)
Chemical Formula: C32H32BrClN2O2
Exact Mass:
Molecular Weight: 591.974
Elemental Analysis: C, 64.93; H, 5.45; Br, 13.50; Cl, 5.99; N, 4.73; O, 5.41


Related CAS #: 843663-66-1 (free base)   845533-86-0 (fumarate)    

Synonym: TMC-207;TMC 207; TMC207; R207910; AIDS222089; AIDS-222089; AIDS 222089; Bedaquiline fumarate

IUPAC/Chemical Name: (1R,2S)-1-(6-Bromo-2-methoxy-3-quinolyl)-4-dimethylamino-2-(1-naphthyl)-1-phenyl-butan-2-ol hydrochloride

InChi Key: AOJCUQGSVYCVQU-UNCJQMLCSA-N

InChi Code: InChI=1S/C32H31BrN2O2.ClH/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;1H/t30-,32-;/m1./s1

SMILES Code: O[C@](CCN(C)C)(C1=C2C=CC=CC2=CC=C1)[C@@H](C3=CC4=CC(Br)=CC=C4N=C3OC)C5=CC=CC=C5.[H]Cl


Technical Data

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO

Shelf Life:
>3 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

Harmonized System Code:
2934.99.03.00


References

1: Hussar DA, Polyak G. Lorcaserin, dimethyl fumarate, and bedaquiline fumarate. J Am Pharm Assoc (2003). 2013 May-Jun;53(3):328-30, 332, 334. doi: 10.1331/JAPhA.2013.13517. PubMed PMID: 23699683.

2: Centers for Disease Control and Prevention. Provisional CDC guidelines for the use and safety monitoring of bedaquiline fumarate (Sirturo) for the treatment of multidrug-resistant tuberculosis. MMWR Recomm Rep. 2013 Oct 25;62(RR-09):1-12. Erratum in: MMWR Recomm Rep. 2013 Nov 15;62(45):906. PubMed PMID: 24157696.