Evidence map›Paper›PMID 39116344›Full record

ArticleOrganic letters2024

Structural Elucidation and Absolute Stereochemistry for Pharma Compounds Using MicroED.

Lygia Silva de Moraes, Jessica E Burch, David A Delgadillo, Isabel Hernandez Rodriguez, Huanghao Mai, Austin G Smith, Seb Caille, Shawn D Walker, Ryan P Wurz, Victor J Cee and 4 more

Abstract read
In one paragraph

Article in Organic letters, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

3 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

14 authors.

Lygia Silva de MoraesDivision of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.
Jessica E BurchDivision of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.
David A DelgadilloDivision of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.ORCID 0000-0002-0897-4470
Isabel Hernandez RodriguezDivision of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.
Huanghao MaiDivision of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.ORCID 0000-0003-2278-0768
Austin G SmithDrug Substance Technologies - Synthetics, Process Development, Amgen Inc., One Amgen Center Drive, Thousand Oaks, California 91320, United States.
Seb CailleDrug Substance Technologies - Synthetics, Process Development, Amgen Inc., One Amgen Center Drive, Thousand Oaks, California 91320, United States.ORCID 0000-0001-5434-5483
Shawn D WalkerDrug Substance Technologies - Synthetics, Process Development, Amgen Inc., One Amgen Center Drive, Thousand Oaks, California 91320, United States.
Ryan P WurzMedicinal Chemistry, Amgen Inc., One Amgen Center Drive, Thousand Oaks, California 91320, United States.ORCID 0000-0003-1413-5208
Victor J CeeMedicinal Chemistry, Amgen Inc., One Amgen Center Drive, Thousand Oaks, California 91320, United States.
Jose A RodriguezDepartment of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, California 90095, United States.ORCID 0000-0002-0248-4964
Dan GostovicMicroEDLab.com, 1623 Central Avenue Suite 18, Cheyenne, Wyoming 82001, United States.
Kyle QuasdorfDrug Substance Technologies - Synthetics, Process Development, Amgen Inc., One Amgen Center Drive, Thousand Oaks, California 91320, United States.ORCID 0000-0003-0151-6511
Hosea M NelsonDivision of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.ORCID 0000-0002-4666-2793

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Microcrystal electron diffraction (microED) is an emerging technique for rapid crystallographic analysis of small molecule micro- and nanocrystals. In this report, we evaluate the applicability of microED to pharmaceutical compounds through the analysis of 30 samples obtained from the process and medicinal chemistry groups at Amgen Inc. Using only 40 h of microscope time, 15 of 30 crystal structures were elucidated. From these crystal structures, all chiral compounds had the correct absolute stereochemistry assigned by dynamical refinement of continuous rotation electron diffraction data, confirming dynamical refinement as a promising tool for the absolute stereochemistry determination of pharmaceutically relevant compounds.

Indexed as

NanoparticlesCrystallography, X-RayModels, MolecularMolecular StructurePharmaceutical PreparationsStereoisomerismPharmaceutical Preparations

Identifiers

PMID39116344
PMCPMC11348424

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.