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4-Amino-2,8-dimethyl-6H-pyrimido[1,2-a][1,3,5]triazin-6-one.
Sachdeva N, Dolzhenko AV, Tan GK, Koh LL, Chui WK. Sachdeva N, et al. Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 17;66(Pt 8):o2050. doi: 10.1107/S1600536810027522. Acta Crystallogr Sect E Struct Rep Online. 2010. PMID: 21588357 Free PMC article.
The amino group adopts a trigonal-planar configuration and forms an intra-molecular resonance-assisted N-HO=C hydrogen bond with the carbonyl group. In the crystal, mol-ecules are linked via inter-molecular N-HN hydrogen bonds into chains of C(2) (2)(6)[R(2) (2)(6)] motif. …
The amino group adopts a trigonal-planar configuration and forms an intra-molecular resonance-assisted N-HO=C hydrogen bond with the carbony …
2-Amino-4-(4-bromo-phen-yl)-8-trifluoro-methyl-3,4-dihydropyrimido[1,2-a][1,3,5]triazin-6(5H)-one.
Dolzhenko AV, Sachdeva N, Tan GK, Koh LL, Chui WK. Dolzhenko AV, et al. Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o684. doi: 10.1107/S1600536809007612. Acta Crystallogr Sect E Struct Rep Online. 2009. PMID: 21582426 Free PMC article.
The title compound, C(13)H(9)BrF(3)N(5)O, crystallizes with two independent mol-ecules in the asymmetric unit. The pyrimidine rings of the mol-ecules are planar [maximum deviations 0.053 (3) and 0.012 (3) A], while the triazine rings adopt flattened half-boat conformations …
The title compound, C(13)H(9)BrF(3)N(5)O, crystallizes with two independent mol-ecules in the asymmetric unit. The pyrimidine rings o …
Bone Marrow Oxalosis: Crystal Flowers in the Bone Marrow Garden.
Mallik N, Sachdeva MUS. Mallik N, et al. Turk J Haematol. 2021 Dec 7;38(4):327-328. doi: 10.4274/tjh.galenos.2021.2020.0557. Epub 2020 Oct 16. Turk J Haematol. 2021. PMID: 33064082 Free PMC article. No abstract available.
New Fluorine-Containing Diamine Monomers for Potentially Improved Polyimides.
Hager CJ, McMillen CD, Sachdeva R, Martin AW, Thrasher JS. Hager CJ, et al. Molecules. 2023 Sep 28;28(19):6855. doi: 10.3390/molecules28196855. Molecules. 2023. PMID: 37836698 Free PMC article.
The new compounds have been characterized by multinuclear NMR and IR spectroscopy and high-resolution liquid chromatography-mass spectrometry as well as single-crystal X-ray diffraction on the new diamine prepared from 4,4'-bicyclohexanol. ...
The new compounds have been characterized by multinuclear NMR and IR spectroscopy and high-resolution liquid chromatography-mass spectrometr …
Synthesis of a Zirconium Complex of an N,O-type p-tert-Butylcalix[4]arene and Its Application in Some Multicomponent Reactions.
Rawat V, Vigalok A, Sinha AK, Sachdeva G, Srivastava CM, Rao GK, Kumar A, Singh M, Rathi K, Verma VP, Yadav B, Pandey AK, Vats M. Rawat V, et al. ACS Omega. 2022 Aug 4;7(32):28471-28480. doi: 10.1021/acsomega.2c03187. eCollection 2022 Aug 16. ACS Omega. 2022. PMID: 35990458 Free PMC article.
The cone shape and structure of the prepared complex were confirmed univocally by single-crystal X-ray diffraction and NMR studies. The Zr metal lies at 2.091 A from the plane of the calixarene ring. ...
The cone shape and structure of the prepared complex were confirmed univocally by single-crystal X-ray diffraction and NMR studies. T …
Orchestration and theranostic applications of synthetic genome with Hachimoji bases/building blocks.
Sett A, Gadewar M, Babu MA, Panja A, Sachdeva P, Almutary AG, Upadhye V, Jha SK, Jha NK. Sett A, et al. Chem Biol Drug Des. 2024 Jan;103(1):e14378. doi: 10.1111/cbdd.14378. Chem Biol Drug Des. 2024. PMID: 38230795 Review.
Their structural conformations, like polyelectrolyte backbones and stereo-regular building blocks favor thermodynamic stability and confirm Schrodinger aperiodic crystal. From the structural genomics aspect, these synthetic bases could be incorporated into the central dogm …
Their structural conformations, like polyelectrolyte backbones and stereo-regular building blocks favor thermodynamic stability and confirm …
Bamlanivimab plus Etesevimab in Mild or Moderate Covid-19.
Dougan M, Nirula A, Azizad M, Mocherla B, Gottlieb RL, Chen P, Hebert C, Perry R, Boscia J, Heller B, Morris J, Crystal C, Igbinadolor A, Huhn G, Cardona J, Shawa I, Kumar P, Adams AC, Van Naarden J, Custer KL, Durante M, Oakley G, Schade AE, Holzer TR, Ebert PJ, Higgs RE, Kallewaard NL, Sabo J, Patel DR, Dabora MC, Klekotka P, Shen L, Skovronsky DM; BLAZE-1 Investigators. Dougan M, et al. N Engl J Med. 2021 Oct 7;385(15):1382-1392. doi: 10.1056/NEJMoa2102685. Epub 2021 Jul 14. N Engl J Med. 2021. PMID: 34260849 Free PMC article. Clinical Trial.
A New Motif in Halogen Bonding: Cooperative Intermolecular S-BrO, OF, and FF Associations in the Crystal Packing of alpha,omega-Di(sulfonyl bromide) Perfluoroalkanes.
Wacha M, Helm DL, Smart MM, McMillen CD, Casabianca LB, Sachdeva R, Urick CR, Wilson LP, Thrasher JS. Wacha M, et al. Chem Asian J. 2023 Mar 14;18(6):e202300012. doi: 10.1002/asia.202300012. Epub 2023 Feb 14. Chem Asian J. 2023. PMID: 36735331
We recently reported the first examples of S-ClO halogen bonding complemented by short FF contacts between neighboring chains that resulted in stabilized crystals of ClSO(2) (CF(2) )(4) SO(2) Cl and ClSO(2) (CF(2) )(6) SO(2) Cl. ...
We recently reported the first examples of S-ClO halogen bonding complemented by short FF contacts between neighboring chains that resulted …
SARS-CoV-2 Neutralizing Antibody LY-CoV555 in Outpatients with Covid-19.
Chen P, Nirula A, Heller B, Gottlieb RL, Boscia J, Morris J, Huhn G, Cardona J, Mocherla B, Stosor V, Shawa I, Adams AC, Van Naarden J, Custer KL, Shen L, Durante M, Oakley G, Schade AE, Sabo J, Patel DR, Klekotka P, Skovronsky DM; BLAZE-1 Investigators. Chen P, et al. N Engl J Med. 2021 Jan 21;384(3):229-237. doi: 10.1056/NEJMoa2029849. Epub 2020 Oct 28. N Engl J Med. 2021. PMID: 33113295 Free PMC article. Clinical Trial.
Crystal structure of a substrate complex of Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FabH) with lauroyl-coenzyme A.
Musayev F, Sachdeva S, Scarsdale JN, Reynolds KA, Wright HT. Musayev F, et al. J Mol Biol. 2005 Mar 11;346(5):1313-21. doi: 10.1016/j.jmb.2004.12.044. Epub 2005 Jan 20. J Mol Biol. 2005. PMID: 15713483
The first step of the reaction is an acyl group transfer from acyl-coenzyme A to the active-site cysteine of the enzyme; the second step is acyl chain extension by two carbon atoms through Claisen condensation with malonyl-acyl carrier protein. We have previously determined the …
The first step of the reaction is an acyl group transfer from acyl-coenzyme A to the active-site cysteine of the enzyme; the second step is …
25 results