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A peculiar dehydration and solid–solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations

A peculiar dehydration and solid–solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations
A peculiar dehydration and solid–solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations
AZD9898 has previously been used as a candidate for a potentially active pharmaceutical ingredient. AZD9898 form A hydrate was discovered during development and this form undergoes dehydration upon heating to give anhydrous form B. Further heating results in a solid–solid phase transition to a new anhydrous phase, form C. This study reports the crystal structures of form A, B, and C obtained by heating the single crystal of form A in situ on the diffractometer which establish the dehydration and solid–solid phase transition mechanisms. The dehydration from form A hydrate to form B anhydrous is an isostructural process while the solid–solid phase transition from form B to form C requires major structural changes. The relevant thermal profiles and vapour sorption behaviour of these forms are also reported in this study.
1466-8033
7280-7289
Pettersen, Anna
0ec7ef29-6474-441b-9c7a-293fc5dc7334
Putra, Okky Dwichandra
922dffb3-6e46-4ce6-9978-6c0a184fb4d3
Light, Mark
cf57314e-6856-491b-a8d2-2dffc452e161
Namatame, Yukiko
8e056444-e884-45cd-ab9d-b5aca8c0f8b8
Pettersen, Anna
0ec7ef29-6474-441b-9c7a-293fc5dc7334
Putra, Okky Dwichandra
922dffb3-6e46-4ce6-9978-6c0a184fb4d3
Light, Mark
cf57314e-6856-491b-a8d2-2dffc452e161
Namatame, Yukiko
8e056444-e884-45cd-ab9d-b5aca8c0f8b8

Pettersen, Anna, Putra, Okky Dwichandra, Light, Mark and Namatame, Yukiko (2020) A peculiar dehydration and solid–solid phase transition of the active pharmaceutical ingredient AZD9898 based on in situ single crystal-to-single crystal transformations. CrystEngComm, 22 (43), 7280-7289. (doi:10.1039/D0CE00276C).

Record type: Article

Abstract

AZD9898 has previously been used as a candidate for a potentially active pharmaceutical ingredient. AZD9898 form A hydrate was discovered during development and this form undergoes dehydration upon heating to give anhydrous form B. Further heating results in a solid–solid phase transition to a new anhydrous phase, form C. This study reports the crystal structures of form A, B, and C obtained by heating the single crystal of form A in situ on the diffractometer which establish the dehydration and solid–solid phase transition mechanisms. The dehydration from form A hydrate to form B anhydrous is an isostructural process while the solid–solid phase transition from form B to form C requires major structural changes. The relevant thermal profiles and vapour sorption behaviour of these forms are also reported in this study.

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AZD9898FormB paper_MEL - Accepted Manuscript
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More information

Accepted/In Press date: 24 March 2020
e-pub ahead of print date: 25 March 2020

Identifiers

Local EPrints ID: 442984
URI: http://eprints.soton.ac.uk/id/eprint/442984
ISSN: 1466-8033
PURE UUID: 7841ca28-fbb7-4b00-9da2-2a0160f4a742
ORCID for Mark Light: ORCID iD orcid.org/0000-0002-0585-0843

Catalogue record

Date deposited: 05 Aug 2020 16:30
Last modified: 26 Nov 2021 06:56

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Contributors

Author: Anna Pettersen
Author: Okky Dwichandra Putra
Author: Mark Light ORCID iD
Author: Yukiko Namatame

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