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MedKoo Cat#: 530666 | Name: BMT-052

Description:

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

BMT-052 is a potent and selective Pan-genotypic HCV NS5B Polymerase Inhibitor (EC50 = 7 nM). The key challenge of poor metabolic stability was overcome by strategic incorporation of deuterium at potential metabolic soft spots. BMT-052 is structurally close to BMS-986139. BMT-052 expressed potent, pan-genotype HCV inhibition, a PK profile predictive of QD dosing in humans and improved physiochemical properties compared to BMS-986139. Empirically, in this context we have shown the ability of deuterium to reduced metabolic rates in LMs as evident by the longer recorded half-lives.

Chemical Structure

BMT-052
CAS#1628720-84-2

Theoretical Analysis

MedKoo Cat#: 530666

Name: BMT-052

CAS#: 1628720-84-2

Chemical Formula: C30H17D9F4N6O5

Exact Mass: 635.2466

Molecular Weight: 635.62

Elemental Analysis: C, 56.69; H, 5.55; F, 11.96; N, 13.22; O, 12.59

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
BMT-052; BMT 052; BMT052.
IUPAC/Chemical Name
5-(5-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl-1,1,1,3,3,3-d6)carbamoyl)-6-(methoxy-d3)pyridin-3-yl)-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
InChi Key
RIVZWIZZJKKNQV-FZGWONOOSA-N
InChi Code
InChI=1S/C30H26F4N6O5/c1-29(2,28-37-14-44-40-28)39-24(41)20-11-16(13-36-26(20)43-4)18-12-19-22(25(42)35-3)23(15-5-7-17(31)8-6-15)45-27(19)38-21(18)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41)/i1D3,2D3,4D3
SMILES Code
O=C(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1=NOC=N1)C2=C(OC([2H])([2H])[2H])N=CC(C3=C(CCC(F)(F)F)N=C(OC(C4=CC=C(F)C=C4)=C5C(NC)=O)C5=C3)=C2
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
Both the improvements in solubility and physiochemical properties of BMT-052 provides a potential means of overcoming the microcrystallization problems observed during the IND toxicology studies of BMS-986139.

Preparing Stock Solutions

The following data is based on the product molecular weight 635.62 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
Improving Metabolic Stability with Deuterium: The Discovery of BMT-052, a Pan-genotypic HCV NS5B Polymerase Inhibitor Kyle Parcella, Kyle Eastman, Kap-Sun Yeung, Katharine A. Grant-Young, Juliang Zhu, Tao Wang, Zhongxing Zhang, Zhiwei Yin, Dawn Parker, Kathy Mosure, Hua Fang, Ying-Kai Wang, Julie Lemm, Xiaoliang Zhuo, Umesh Hanumegowda, Mengping Liu, Karen Rigat, Maria Donoso, Maria Tuttle, Tatyana Zvyaga, Zuzana Haarhoff, Nicholas A. Meanwell, Matthew G. Soars, Susan B. Roberts, and John F. Kadow Publication Date (Web): June 29, 2017 (Letter) DOI: 10.1021/acsmedchemlett.7b00211