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Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) | CAS No. 1190307-88-0

Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)

Basic Information

Chemical_Structure_Of
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CAS Number

1190307-88-0

Molecular Formula

C22H29FN3O9P

Molecular Weight

529.46 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Insecticides
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

120-125°C

Refractive Index

1.573

Specific Rotation

+40° to +45° (c=0.5, EtOH)

SMILES

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CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc3ccccc3

InChI

InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1

InChIKey

TTZHDVOVKQGIBA-IQWMDFIBSA-N

LogP

1.6565000000000003

Topological Polar Surface Area

158.17999999999995 Ų

Hydrogen Bond Donor/Acceptor

3 / 12

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • GS-7977
  • N-[[P(S),2'R]-2'-Deoxy-2'-fluoro-2'-methyl-P-phenyl-5'-uridylyl]-L-alanine 1-methylethyl ester
  • PSI 7977
  • sofosbuvir
  • sofosbuvir, PSI7977
  • (S)-2-{[(1R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-(R)-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-ylmethoxy]phenoxyphosphorylamino}propionic acid (S)-isopropyl ester
  • Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
  • GS7977
  • propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
  • PSI-7977
  • PSI-7977 Discontinu
  • PSI-7977 Discontinued
  • Sofosbubir
  • Sofosbuvir (PSI-7977, GS-7977)
  • (S)-2-{(S)-[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-ylmethoxy](phenoxy)phosphorylamino}propionic acid isopropyl ester
  • Sofbwe (Sofos)
  • 索非布韦
  • Sofosbuvir
  • isopropyl ((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate

MDL Number

MFCD26523124

FAQ

What is Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (CAS: 1190307-88-0)?
Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (CAS: 1190307-88-0) is a complex organic compound with a molecular structure that includes multiple chiral centers and functional groups such as a pyrimidine ring, a furan ring, and a phosphoryl group. It is known for its potential applications in pharmaceutical research, particularly in the development of antiviral and anti-inflammatory agents.

What are the main uses of Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (CAS: 1190307-88-0)?
This compound is primarily used in pharmaceutical research for developing drugs targeting viral and inflammatory diseases. It may also find applications in medicinal chemistry as a potential lead compound for new therapeutic agents. Its complex structure suggests utility in drug design and modification processes.

Is Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (CAS: 1190307-88-0) safe?
Safety data for this compound is limited, but as a research chemical, it is generally considered safe when handled properly in controlled laboratory settings. Precautions include wearing appropriate personal protective equipment (PPE) and following standard chemical safety protocols. It should be treated with care due to its complex structure and potential reactivity.

How should Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (CAS: 1190307-88-0) be stored?
This compound should be stored in a cool, dry place away from light and moisture. It is best kept in a sealed container at a temperature below 25°C to maintain stability. Proper storage conditions are essential to prevent degradation and ensure the compound remains suitable for research and development purposes.

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Hubei Shixing Chemical Co., Ltd.

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HuBeiXinKangYiYao Chemical Co Ltd

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Jinan Renyuan Chemical Co., Ltd.

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Lianyungang Ziyansi Pharmaceutical Co., Ltd.

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Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) — AnHuiHaiKangYaoYe Co Ltd

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NaTongKaiMeiRui Chemical Co Ltd

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Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) — Jiangsu Keben Pharmaceutical Co., Ltd.

Jiangsu Keben Pharmaceutical Co., Ltd.

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Shanghai Huicheng Biotechnology Co., Ltd.

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Beijing Xiangyu Hengtian Medicine Technology Co., Ltd.

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HuBeiWeiDeLiHuaGongKeJiGongSi

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Isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) — RuiLaiBaoYiYaoKeJi ( ShangHai ) Co Ltd

RuiLaiBaoYiYaoKeJi ( ShangHai ) Co Ltd

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Wuhan HuJiu Medicine Technology Co., Ltd.

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