ACS Medicinal Chemistry Letters最新文献_第8页

A Miniaturized Chemical High Throughput Experimentation Plate to Enable Late-Stage Oxidation Screening and Scale-up. 一个小型化的化学高通量实验板，使后期氧化筛选和放大。

IF 3.5 3区医学

ACS Medicinal Chemistry Letters Pub Date : 2025-06-02 eCollection Date: 2025-06-12 DOI: 10.1021/acsmedchemlett.5c00175

Javier Izquierdo-Ferrer, Mary E Bellizzi, Noah Tu, Andrew Bogdan, Ying Wang

引用次数: 0

Novel Bicyclic Heterocycles as MRGPRX2 Antagonists for Treating Inflammatory Diseases 新型双环杂环作为MRGPRX2拮抗剂治疗炎性疾病

IF 3.5 3区医学

ACS Medicinal Chemistry Letters Pub Date : 2025-06-02 DOI: 10.1021/acsmedchemlett.5c0030510.1021/acsmedchemlett.5c00305

Ram W. Sabnis*,

引用次数: 0

Triazine Macrocycle Libraries: Synthesis, logD Prediction, and a Surprisingly Hydrophobic, Membrane-Permeable Diamine. 三嗪大环文库：合成，logD预测，和一个令人惊讶的疏水，膜透性二胺。

IF 3.5 3区医学

ACS Medicinal Chemistry Letters Pub Date : 2025-06-02 eCollection Date: 2025-06-12 DOI: 10.1021/acsmedchemlett.5c00078

Gretel A Stokes, Casey J Patterson-Gardner, Alexander M Engstrom, Alexander J Menke, K Harsha Vardhan Reddy, R Scott Lokey, Eric E Simanek

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引用次数: 0

Novel Bicyclic Heterocycles as MRGPRX2 Antagonists for Treating Inflammatory Diseases. 新型双环杂环作为MRGPRX2拮抗剂治疗炎性疾病

IF 3.5 3区医学

ACS Medicinal Chemistry Letters Pub Date : 2025-06-02 eCollection Date: 2025-06-12 DOI: 10.1021/acsmedchemlett.5c00305

Ram W Sabnis

引用次数: 0

Triazine Macrocycle Libraries: Synthesis, logD Prediction, and a Surprisingly Hydrophobic, Membrane-Permeable Diamine 三嗪大环文库：合成，logD预测，和一个令人惊讶的疏水，膜透性二胺

IF 3.5 3区医学

ACS Medicinal Chemistry Letters Pub Date : 2025-06-02 DOI: 10.1021/acsmedchemlett.5c0007810.1021/acsmedchemlett.5c00078

Gretel A. Stokes, Casey J. Patterson-Gardner, Alexander M. Engstrom, Alexander J. Menke, K. Harsha Vardhan Reddy, R. Scott Lokey and Eric E. Simanek*,

{"title":"Triazine Macrocycle Libraries: Synthesis, logD Prediction, and a Surprisingly Hydrophobic, Membrane-Permeable Diamine","authors":"Gretel A. Stokes, Casey J. Patterson-Gardner, Alexander M. Engstrom, Alexander J. Menke, K. Harsha Vardhan Reddy, R. Scott Lokey and Eric E. Simanek*, ","doi":"10.1021/acsmedchemlett.5c0007810.1021/acsmedchemlett.5c00078","DOIUrl":"https://doi.org/10.1021/acsmedchemlett.5c00078https://doi.org/10.1021/acsmedchemlett.5c00078","url":null,"abstract":"A library of triazine macrocycles was obtained to evaluate strategies for predicting lipophilicity using additive algorithms. Two synthetic routes were examined. While both were successful, one proved amenable to solution-phase library synthesis. The octanol–water partition coefficients (logP) were measured using reverse-phase HPLC at pH 10. When experimental and computed values (AlogP) are compared, a linear correlation is observed. That is, while additive algorithms underestimate hydrophobicity by a factor of 100, a simple correction yields accurate predictions. Two macrocycles showed anomalous hydrophobicities at high pH that were borne out in membrane transit (PAMPA) studies. Homodimers containing two primary amines were more hydrophobic than the corresponding heterodimers containing a single amine and a hydrophobic group. Structural analysis and computation provide a rationale for this behavior: the amines engage in an intramolecular hydrogen bond.","PeriodicalId":20,"journal":{"name":"ACS Medicinal Chemistry Letters","volume":"16 6","pages":"1017–1023 1017–1023"},"PeriodicalIF":3.5,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144260870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Miniaturized Chemical High Throughput Experimentation Plate to Enable Late-Stage Oxidation Screening and Scale-up 一个小型化的化学高通量实验板，使后期氧化筛选和放大

IF 3.5 3区医学

ACS Medicinal Chemistry Letters Pub Date : 2025-06-02 DOI: 10.1021/acsmedchemlett.5c0017510.1021/acsmedchemlett.5c00175

Javier Izquierdo-Ferrer*, Mary E. Bellizzi, Noah Tu, Andrew Bogdan and Ying Wang,

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引用次数: 0

Novel 2,6,9-Trisubstituted Purines as CDK2 Inhibitors for Treating Cancers 新型2,6,9-三取代嘌呤作为CDK2抑制剂治疗癌症

IF 3.5 3区医学

ACS Medicinal Chemistry Letters Pub Date : 2025-05-30 DOI: 10.1021/acsmedchemlett.5c0028210.1021/acsmedchemlett.5c00282

Jian Rong, and , Steven H. Liang*,

引用次数: 0

Novel 2,6,9-Trisubstituted Purines as CDK2 Inhibitors for Treating Cancers. 新型2,6,9-三取代嘌呤作为CDK2抑制剂治疗癌症

IF 3.5 3区医学

ACS Medicinal Chemistry Letters Pub Date : 2025-05-30 eCollection Date: 2025-06-12 DOI: 10.1021/acsmedchemlett.5c00282

Jian Rong, Steven H Liang

引用次数: 0

Novel Indole Derivatives as Serotonergic Psychedelic Agents for Treating Psychosis, Mental Illness, and CNS Disorders. 新型吲哚衍生物作为5 -羟色胺能致幻剂用于治疗精神病、精神疾病和中枢神经系统障碍。

IF 3.5 3区医学

ACS Medicinal Chemistry Letters Pub Date : 2025-05-30 eCollection Date: 2025-06-12 DOI: 10.1021/acsmedchemlett.5c00309

Ram W Sabnis

引用次数: 0

Synthesis and Application of Novel Arginine Vasopressin Receptor 1A (AVPR1A) Antagonists 新型精氨酸抗利尿激素受体1A （AVPR1A）拮抗剂的合成与应用

IF 3.5 3区医学

ACS Medicinal Chemistry Letters Pub Date : 2025-05-29 DOI: 10.1021/acsmedchemlett.5c0028510.1021/acsmedchemlett.5c00285

Xin Zhou, and , Steven H. Liang*,

引用次数: 0