Methyl (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoate

Basic Information

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CAS Number

147118-40-9

Molecular Formula

C23H30FN3O6S

Molecular Weight

495.57 g/mol

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 Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

692.3°C at 760 mmHg

SMILES

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CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)OC)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

InChI

InChI=1S/C23H30FN3O6S/c1-14(2)21-19(11-10-17(28)12-18(29)13-20(30)33-4)22(15-6-8-16(24)9-7-15)26-23(25-21)27(3)34(5,31)32/h6-11,14,17-18,28-29H,12-13H2,1-5H3/b11-10+/t17-,18-/m1/s1

InChIKey

SUTPUCLJAVPJRS-NDZBKKTDSA-N

LogP

2.4901000000000018

Topological Polar Surface Area

129.92000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

782

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

methyl (3r,5s,e)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate
AC-3412
CS-0166891
(+)-Rosuvastatin methyl ester
rel-(3R,5S,E)-Methyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate
Q27254613
(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)-amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoicacid, methyl ester
615263-54-2
A24804
6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-
2E76572CUD
SUTPUCLJAVPJRS-NDZBKKTDSA-N
BCP04937
147118-40-9
6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, methyl ester, (3R,5S,6E)-
EC 604-568-6
methyl (6E)-7-{4-(4-flurophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}(3R,5S)-3,5-dihydroxyhept-6-enoate
DS-15515
7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-(N-methyl-N-methylsulfonyl-amino)-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid methyl ester
AKOS015999593
(3R,5S,E)-Methyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate
C72800
MFCD12756002
(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)-amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic acid, methyl ester
SCHEMBL2167027
methyl (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
(3R,5S,6E)-methyl-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate
UNII-2E76572CUD
Rosuvastatin methyl ester
DTXSID90163597
(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)-amino]-5-pyrimidinyl]-3,5-dihydroxy-6-hept...

MDL Number

MFCD12756002

Customs Code

2935009090

FAQ

What is (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoate (CAS: 147118-40-9)?

It is a complex organic compound with a specific chemical structure that includes a heptenoate moiety, a pyrimidine ring, and various substituents. This compound has a unique set of physical properties, including a molecular weight of approximately 467.45 g/mol, and it is known for its stability in a wide range of environments.

What are the main uses of (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoate (CAS: 147118-40-9)?

This compound is primarily used in pharmaceutical research and development, where it serves as a potential lead compound for new drug discoveries. It may also have applications in the synthesis of other organic compounds and as a reagent in chemical reactions.

Is (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoate (CAS: 147118-40-9) safe?

While the compound is generally safe under proper handling conditions, it is important to follow standard safety protocols. It should be used in a well-ventilated area, and appropriate personal protective equipment (PPE) should be worn. Exposure to the compound should be minimized, and it should be stored under appropriate conditions to ensure safety.

How should (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoate (CAS: 147118-40-9) be stored?

This compound should be stored in a cool, dry, and well-ventilated area away from direct sunlight. It should be kept in a tightly sealed container to prevent degradation and contamination. The storage temperature should be maintained between 15°C and 25°C, and the relative humidity should be kept below 50%. It is advisable to store the compound in a fume hood to ensure minimal exposure to air and moisture.