BRD0761 | Clostridium difficile Inhibitor

MedKoo Cat#: 564249 | Name: BRD0761

Description:

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

BRD0761 is a highly specific, diversity-oriented, and synthesis-derived inhibitor of an intestinal anaerobe, Clostridium difficile.

Chemical Structure

BRD0761

CAS#NONE

Theoretical Analysis

MedKoo Cat#: 564249

Name: BRD0761

CAS#: NONE

Chemical Formula: C28H25FN2O3

Exact Mass: 456.1849

Molecular Weight: 456.52

Elemental Analysis: C, 73.67; H, 5.52; F, 4.16; N, 6.14; O, 10.51

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

BRD-0761; BRD 0761; BRD0761

IUPAC/Chemical Name

[(3aR,4R,9bR)-4-(Hydroxymethyl)-8-[2-(2-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-fluorophenyl)methanone

InChi Key

VRGSZUZZWQHOGJ-BUALBWRZSA-N

InChi Code

InChI=1S/C28H25FN2O3/c1-34-26-5-3-2-4-19(26)8-6-18-7-13-24-23(16-18)27-22(25(17-32)30-24)14-15-31(27)28(33)20-9-11-21(29)12-10-20/h2-5,7,9-13,16,22,25,27,30,32H,14-15,17H2,1H3/t22-,25+,27-/m1/s1

SMILES Code

O=C(N1CC[C@]2([H])[C@H](CO)NC3=C(C=C(C#CC4=CC=CC=C4OC)C=C3)[C@@]21[H])C5=CC=C(F)C=C5

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).

HS Tariff Code

2934.99.03.00

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 456.52 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Duvall JR, Bedard L, Naylor-Olsen AM, Manson AL, Bittker JA, Sun W, Fitzgerald ME, He Z, Lee MD 4th, Marie JC, Muncipinto G, Rush D, Xu D, Xu H, Zhang M, Earl AM, Palmer MA, Foley MA, Vacca JP, Scherer CA. Identification of Highly Specific Diversity-Oriented Synthesis-Derived Inhibitors of Clostridium difficile. ACS Infect Dis. 2017 May 12;3(5):349-359. doi: 10.1021/acsinfecdis.6b00206. Epub 2017 Mar 7. PubMed PMID: 28215073; PubMed Central PMCID: PMC5509442.