エルビテグラビル
エルビテグラビル 物理性質
- 融点 :
- 93-96°C
- 沸点 :
- 623.6±55.0 °C(Predicted)
- 比重(密度) :
- 1.357±0.06 g/cm3(Predicted)
- 貯蔵温度 :
- Refrigerator
- 溶解性:
- DMSO（微量）、メタノール（微量）
- 外見 :
- 個体
- 酸解離定数(Pka):
- 0.44±0.20(Predicted)
- 色:
- オフホワイトからペールイエロー
- 光学活性 (optical activity):
- [α]/D -26 to -34°, c =0.5 in methanol
- InChIKey:
- JUZYLCPPVHEVSV-LJQANCHMSA-N
- SMILES:
- N1([C@H](CO)C(C)C)C2=C(C=C(CC3=CC=CC(Cl)=C3F)C(OC)=C2)C(=O)C(C(O)=O)=C1
- CAS データベース:
- 697761-98-1
安全性情報
- リスクと安全性に関する声明
- 危険有害性情報のコード(GHS)
| 絵表示（GHS） |
|
| 注意喚起語 |
|
| 危険有害性情報 |
| コード |
危険有害性情報 |
危険有害性クラス |
区分 |
注意喚起語 |
シンボル |
P コード |
| H412 |
長期的影響により水生生物に有害 |
水生環境有害性、慢性毒性 |
3 |
|
|
P273, P501 |
|
| 注意書き |
| P273 |
環境への放出を避けること。 |
| P501 |
内容物/容器を．．．に廃棄すること。 |
|
| メーカー |
製品番号 |
製品説明 |
CAS番号 |
包装 |
価格 |
更新時間 |
購入 |
|
Sigma-Aldrich Japan
|
SML3672 |
≥98% (HPLC)
Elvitegravir ≥98% (HPLC) |
697761-98-1 |
10MG |
￥15500 |
2023-06-01 |
購入 |
|
Sigma-Aldrich Japan
|
SML3672 |
≥98% (HPLC)
Elvitegravir ≥98% (HPLC) |
697761-98-1 |
50MG |
￥62500 |
2023-06-01 |
購入 |
エルビテグラビル 化学特性,用途語,生産方法
効能
抗ウイルス薬, HIVインテグラーゼ阻害薬
説明
In November 2013, the European Medicines Agency (EMA) approved elvitegravir (also known as GS 9137 and JTK 303) as a single agent to be used as part of an antiviral regimen that includes a ritonavir-boosted protease inhibitor for the treatment of HIV-1 in adults without mutations indicative of elvitegravir resistance. Elvitegravir is the second of three marketed HIV integrase strand transfer inhibitors (INSTIs) including raltegravir and dolutegravir (this volume of ARMC). Elvitegravir was discovered by modification of a literature naphthyridine HIV integrase inhibitor in which the naphthyridine core served as a bioisostere for the diketo acid moiety in an original series. Serendipitously, a 4-quinolone-3-carboxylic acid precursor en route to the desired bioisosteric glyoxylic acid demonstrated modest integrase inhibition (IC
50=1600 nM). Further derivatization led to elvitegravir with enhanced inhibition of integrase strand transfer (IC
50=7.2 nM) and significant antiviral activity (EC
50=0.9 nM). Elvitegravir was prepared in seven synthetic steps from 2,4-difluoro-5-iodobenzoic acid. The corresponding acid chloride was coupled to ethyl 3-(dimethylamino) acrylate and further substituted with S-valinol. Base promoted cyclization afforded the quinolone which was protected as silyl ether. Negishi coupling installed the 2-fluoro-3-chlorobenzyl moiety. Subsequent hydrolysis and methoxylation afforded elvitegravir.
化学的特性
Off-White to Pale Yellow Solid
使用
A novel inhibitor of human immunodeficiency virus type 1 integrase.
定義
ChEBI: A quinolinemonocarboxylic acid that is 7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid substited at position 1 by a 1-hydroxy-3-methylbutan-2-yl group and at position 6 by a 3-chloro-2-fluorobenzyl group (the S-enantiomer). It is us
d in combination therapy for the treatment of HIV-1 infection.
エルビテグラビル 上流と下流の製品情報
原材料
準備製品
エルビテグラビル 生産企業
Global( 246)Suppliers
697761-98-1(エルビテグラビル)キーワード:
- 697761-98-1
- CS-789
- CS-456
- GS9137;GS-9137;GS 9137
- Elvitegravir,EVG,GS-9137,JTK-303
- (S)-6-(3-CHLORO-2-FLUOROBENZYL)-1-(1-HYDROXY-3-METHYLBUTAN-2-YL)-7-METHOXY-4-OXO
- 6-[(3-chloro-2-fluorophenyl)Methyl]-1-[(2S)-1-hydroxy-2,3-diMethylbutan-2-yl]-7-Methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- GS 9137
- JTK 303
- 6-[(3-Chloro-2-fluorophenyl)Methyl]-1,4-dihydro-1-[(1S)-1-(hydroxyMethyl)-2-Methylpropyl]-7-Methoxy-4-oxo-3-quinolinecarboxylic Acid
- D06677
- EVG
- Elvitegravir (GS-9137)
- Vitekta
- 6-(3-Chloro-2-fluorobenzyl)-1-[1(S)-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid Elvitegravir (GS-9137, JTK-303)
- (S)-6-(3-CHLORO-2-FLUOROBENZYL)-1-(1-HYDROXY-3-METHYLBUTAN-2-YL)-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
- (S)-6-(3-Chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylBUTAN-2-YL)-7-methoxy-4-oxo-1,4-dihydroqu
- 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
- brand name: Stribild
- GS-9137; GS9137; GS 9137; JTK 303; JTK-303; JTK303; EVG; ELVITEGRAVIR; BRAND NAME: STRIBILD
- (S)-6-(3-CHLORO-2-FLUOROBENZYL)-1-(1-HYDROXY-2,3-DIMETHYLBUTAN-2-YL)-7-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
- Elvitegravir(GS-9137,JTK-303)
- Elvitegravir
- 6-(3-Chloro-2-fluorobenzyl)-1-[1(S)-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- (S)-6-(3-CHLORO-2-FLUOROBENZYL)-1-(1-HYDROXY-3-METHYLBUTAN-2-YL)-7-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
- 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-
- Elvitegravi
- ELVITEGRAVIR CAS 697761-98-1
- (S)-6-(3-CHLORO-2-FLUOROBENZYL)-1-(1-HYDROXY-3-METHYLBUTAN-2-YL)-7-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID USP/EP/BP
- 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
- ElvitegravirQ: What is
Elvitegravir Q: What is the CAS Number of
Elvitegravir Q: What is the storage condition of
Elvitegravir Q: What are the applications of
Elvitegravir
- エルビテグラビル
- エルビテグラビル (JAN)
- 6-(3-クロロ-2-フルオロベンジル)-1-[(2S)-1-ヒドロキシ-3-メチルブタン-2-イル]-7-メトキシ-4-オキソ-1,4-ジヒドロキノリン-3-カルボン酸
- 6-[(3-クロロ-2-フルオロフェニル)メチル]-1-[(2S)-1-ヒドロキシ-3-メチルブタン-2-イル]-7-メトキシ-4-オキソ-1,4-ジヒドロキノリン-3-カルボン酸
- 6-(3-クロロ-2-フルオロベンジル)-1,4-ジヒドロ-1-[(S)-1-(ヒドロキシメチル)-2-メチルプロピル]-7-メトキシ-4-オキソ-3-キノリンカルボン酸