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MedKoo Cat#: 530543 | Name: BRD9185

Description:

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

BRD9185 is a Dihydroorotate dehydrogenase (DHODH) inhibitor. BRD9185 has in vitro activity against multidrug-resistant blood-stage parasites (EC50 = 0.016 μM) and is curative after just three doses in a P. berghei mouse model. BRD9185 has a long half-life (15h) and low clearance in mice and represents a new structural class of DHODH inhibitors with potential as antimalarial drugs.

Chemical Structure

BRD9185
BRD9185
CAS#2057420-29-6

Theoretical Analysis

MedKoo Cat#: 530543

Name: BRD9185

CAS#: 2057420-29-6

Chemical Formula: C23H21F6N3O2

Exact Mass: 485.1538

Molecular Weight: 485.43

Elemental Analysis: C, 56.91; H, 4.36; F, 23.48; N, 8.66; O, 6.59

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
BRD9185; BRD-9185; BRD 9185.
IUPAC/Chemical Name
(2S,3S,4S)-3-(3',4'-bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-2-cyano-4-(hydroxymethyl)-N-propylazetidine-1-carboxamide
InChi Key
FYPZBZFXJUJJRA-AQNXPRMDSA-N
InChi Code
InChI=1S/C23H21F6N3O2/c1-2-9-31-21(34)32-18(11-30)20(19(32)12-33)14-5-3-13(4-6-14)15-7-8-16(22(24,25)26)17(10-15)23(27,28)29/h3-8,10,18-20,33H,2,9,12H2,1H3,(H,31,34)/t18-,19-,20+/m1/s1
SMILES Code
O=C(NCCC)N1[C@H](CO)[C@@H](C(C=C2)=CC=C2C3=CC=C(C(F)(F)F)C(C(F)(F)F)=C3)[C@H]1C#N
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
>2 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
2934.99.9001
More Info
Dihydroorotate dehydrogenase (DHODH) is an enzyme necessary for pyrimidine biosynthesis in protozoan parasites of the genus Plasmodium, the causative agents of malaria.

Preparing Stock Solutions

The following data is based on the product molecular weight 485.43 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.

Recalculate based on batch purity %
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. Discovery of Antimalarial Azetidine-2-carbonitriles That Inhibit P. falciparum Dihydroorotate Dehydrogenase Micah MaetaniNobutaka KatoValquiria A. P. JaborFelipe A. CalilMaria Cristina NonatoChristina A. SchererStuart L. Schreiber Publication Date (Web): February 27, 2017 (Letter) DOI: 10.1021/acsmedchemlett.7b00030 2. Kato, Nobutaka; Comer, Eamon; Sakata-Kato, Tomoyo; Sharma, Arvind; Sharma, Manmohan; Maetani, Micah; Bastien, Jessica; Brancucci, Nicolas M.; Bittker, Joshua A.; Corey, Victoria; et al Diversity-​oriented synthesis yields novel multistage antimalarial inhibitors. Nature (London, United Kingdom) (2016), 538(7625), 344-349.