BMT-052

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

MedKoo CAT#: 530666

CAS#: 1628720-84-2

Description: 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

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BMT-052
CAS# 1628720-84-2

Theoretical Analysis

MedKoo Cat#: 530666
Name: BMT-052
CAS#: 1628720-84-2
Chemical Formula: C30H17D9F4N6O5
Exact Mass: 635.25
Molecular Weight: 635.624
Elemental Analysis: C, 56.69; H, 5.55; F, 11.96; N, 13.22; O, 12.59

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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.

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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