Login

Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate | CAS No. 901765-36-4

Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate

Basic Information

Chemical_Structure_Of
View in Editor

CAS Number

901765-36-4

Molecular Formula

C24H30FN3O6S

Molecular Weight

507.58 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
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 Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.291

SMILES

View in Editor

CCOC(=O)CC(=O)CC(C=CC1=C(N=C(N=C1C(C)C)N(C)S(=O)(=O)C)C2=CC=C(C=C2)F)O

InChI

InChI=1S/C24H30FN3O6S/c1-6-34-21(31)14-19(30)13-18(29)11-12-20-22(15(2)3)26-24(28(4)35(5,32)33)27-23(20)16-7-9-17(25)10-8-16/h7-12,15,18,29H,6,13-14H2,1-5H3/b12-11+/t18-/m1/s1

InChIKey

ABQHNLSQARCFAU-IENJSVCTSA-N

LogP

3.088400000000002

Topological Polar Surface Area

126.76000000000002 Ų

Hydrogen Bond Donor/Acceptor

1 / 9

Complexity

839

Synonyms & References

English

  • ethyl (S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-5-hydroxy-3-oxohept-6-enoate
  • (S,E)-Ethyl7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-5-hydroxy-3-oxohept-6-enoate
  • Ethyl (E,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-5-hydroxy-3-oxohept-6-enoate
  • ABQHNLSQARCFAU-IENJSVCTSA-N
  • SCHEMBL3084409
  • AKOS016003269
  • A24790
  • SCHEMBL1164445
  • AC-30580
  • (S)-trans-ethyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-5-hydroxy-3-oxohept-6-enoate
  • 6-Heptenoicacid,7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-5-hydroxy-3-oxo-,ethyl ester,(5S,6E)-
  • 901765-36-4
  • (S,E)-Ethyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-5-hydroxy-3-oxohept-6-enoate
  • (5S,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-5-hydroxy-3-oxo-6-Heptenoic acid ethyl ester
  • (ZD-4) ETHYL(+)-(5S)-7-[4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(N-METHYL-N-METHANESULFONYLAMINO) PYRIMIDIN-5-YL]-5-HYDROXY-3-...
  • 6-Heptenoicacid,7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyri...
  • 6-Heptenoicacid,7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-5-hydroxy-3-oxo-,ethyl

MDL Number

MFCD12965029

FAQ

What regulatory guidelines apply to Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate (CAS: 901765-36-4)?
Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate (CAS: 901765-36-4) falls under the scope of REACH regulations in the European Union, requiring registration for substances produced or imported in quantities above one tonne per year. It also adheres to GHS classification and labeling standards, which may include classification as a hazardous substance based on its properties. In the United States, FDA and EPA regulations may apply for its use in pharmaceuticals or environmental releases, respectively.

Are there alternatives to Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate (CAS: 901765-36-4) in synthesis?
Synthesizing Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate (CAS: 901765-36-4) can involve the use of related compounds such as similar pyrimidines or isomers. Alternative reagents might include other functionalized pyrimidines, isopropyl derivatives, or analogous substituted heptenoates, depending on the specific synthetic route and desired properties of the compound.

What is the market or research trend for Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate (CAS: 901765-36-4)?
There is a growing interest in the development of novel antiviral and anticancer agents, which has led to increased research on Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate (CAS: 901765-36-4) due to its potential as a drug candidate. Market trends indicate a focus on optimizing its synthesis, improving its bioavailability, and conducting further in vitro and in vivo studies to assess its efficacy and safety.

How should waste containing Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate (CAS: 901765-36-4) be handled?
Waste containing Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate (CAS: 901765-36-4) should be collected in properly labeled, sealed containers to prevent spillage and contamination. It should then be handled by a professional waste disposal service that can ensure safe disposal, which may include incineration or chemical treatment. Environmental protection precautions, such as avoiding direct contact and proper ventilation, are essential during handling and disposal.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

Supplier Information

AnHuiShengQingYunYiYao Inc

CAS Number: 901765-36-4

View Details

Hubei Hanwei Chemical Co., Ltd.

CAS Number: 901765-36-4

View Details
Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

Hubei Yangxin Pharmaceutical Technology Co., Ltd.

CAS Number: 901765-36-4

View Details

Shanghai Hansi Chemical Co., Ltd.

CAS Number: 901765-36-4

View Details

HuBeiGuoYunFuRui Technology Co Ltd

CAS Number: 901765-36-4

View Details
Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

CAS Number: 901765-36-4

View Details
Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate — JiangSuAiKangShengWuYiYaoYanFa Co Ltd

JiangSuAiKangShengWuYiYaoYanFa Co Ltd

CAS Number: 901765-36-4

View Details
Ethyl (5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-5-hydroxy-3-oxo-6-heptenoate — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

CAS Number: 901765-36-4

View Details

Kinlam (Shanghai) Biotech Co.,Ltd

CAS Number: 901765-36-4

View Details

This website uses cookies to ensure basic functionality and enhance your experience. We use:

  • Essential cookies: Required for core site features (authentication, security). These cannot be disabled.
  • Analytics cookies: Help us understand site usage to improve our service.

You can change your preferences at any time in our Privacy Settings. See our Privacy Policy for more details.