Emtricitabine

CAS 143491-57-0 · C₈H₁₀FN₃O₃S · MW 247.25 g/mol

关于 Emtricitabine

Emtricitabine 是一种化学品，登记号为 CAS 143491-57-0，分子式为 C₈H₁₀FN₃O₃S，摩尔质量为 247.25 g/mol。

该分子包含 26 个原子，通过 27 个化学键连接。该化合物的完整系统 IUPAC 名称为 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = -0.6 (负值，亲水性化合物)，极性表面积 PSA = 113 Å²，2 个氢键供体和 5 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Molecular formula	C₈H₁₀FN₃O₃S
Masa molowa	247.25 g/mol
IUPAC	4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
SMILES	`C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F`
InChIKey	`XQSPYNMVSIKCOC-NTSWFWBYSA-N`
logP (XLogP3)	-0.6
PSA	113 Å²
HBD / HBA	2 / 5
PubChem CID	CID 60877 ↗

科学文献

Related literature

4 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (4 articles)

Bar height = number of articles per year. Hover dla szczegółów.

Selection of resistance-conferring mutations in HIV-1 by the nucleoside reverse transcriptase inhibitors (+/-)dOTC and (+/-)dOTFC.

Richard N, Salomon H, Oliveira M et al. (2000) · Antiviral chemistry & chemotherapy

$ PaywallDOI ↗PubMed ↗

Resistance profiles of (+)2'-deoxy-3'-oxa-4'-thiocytidine and (-)2'-deoxy-3'-oxa-4'-thio-5-fluorocytidine.

Richard N, Salomon H, Oliveira M et al. (1999) · Nucleosides & nucleotides

$ PaywallDOI ↗PubMed ↗

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Selection and characterization of human immunodeficiency virus type 1 variants resistant to the (+) and (-) enantiomers of 2'-deoxy-3'-oxa-4'-thio-5-fluorocytidine.

Richard N, Salomon H, Rando R et al. (2000) · Antimicrobial agents and chemotherapy

Open AccessDOI ↗PubMed ↗PDF ↗

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Anti-human immunodeficiency virus and anti-hepatitis-B virus activities and toxicities of the enantiomers of 2'-deoxy-3'-oxa-4'-thiocytidine and their 5-fluoro analogues in vitro.

Mansour TS, Jin H, Wang W et al. (1995) · Journal of medicinal chemistry

Open AccessDOI ↗PubMed ↗PDF ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

Emtricitabine · 143491-57-0 · Coviracil · Emtriva · 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one · 524W91 · dOTFC · BW-524W91 · 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one · 2-FTC · (-)-2'-Deoxy-5-fluoro-3'-thiacytidine · (-)-emtricitabine · 2'-Deoxy-5-fluoro-3'-thiacytidine · Emtricitabina · Emtricitabinum

数据来源

📊 PubChem CID 60877 — NIH
🔬 NIST WebBook — spektroskopia
🌐 Wikidata
💊 ChEMBL — bioaktywność