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(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid | CAS No. 287714-41-4

(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid

Basic Information

Chemical_Structure_Of
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CAS Number

287714-41-4

Molecular Formula

C22H28FN3O6S

Molecular Weight

481.55 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
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

Melting Point

210-218°C

Boiling Point

745.6°C at 760 mmHg

Refractive Index

1.59

Specific Rotation

14° to +18° (c=1, MeOH & H2O 1:1)

SMILES

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

InChI

InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1

InChIKey

BPRHUIZQVSMCRT-VEUZHWNKSA-N

LogP

2.401700000000001

Topological Polar Surface Area

140.92 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

767

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

  • HSDB 7317
  • CHEMBL1496
  • EN300-20321882
  • (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (3R,5S,6E)-
  • 7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl-methylsulfonyl-amino)-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid;Rosuvastatin;Rosuvastatin Acid
  • DTXSID8048492
  • Rosuvastatin [INN:BAN]
  • Rosuvastatina
  • FBI
  • X-Plended
  • (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhept-6enoic acid
  • AS-12247
  • Rosuvastatin (INN)
  • (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
  • NCGC00178070-01
  • Creston
  • Spectrum5_001695
  • D08492
  • C10AA07
  • BRD-K82941592-001-01-3
  • ROSUVASTATIN [HSDB]
  • (3R,5S)-trans-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid
  • (3R,5S,6E)-7-(4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(METHYL(METHYLSULFONYL)AMINO)PYRIMIDIN-5-YL)-3,5-DIHYDROXYHEPT-6-ENOIC ACID
  • Rosuvastatin [INN]
  • ZD-4522
  • ZD 4522
  • GTPL2954
  • AKOS000280777
  • CCG-40119
  • A24862

MDL Number

MFCD18783208

FAQ

What are the physical and chemical properties of (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid (CAS: 287714-41-4)?
The compound (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid is an organic compound with a molecular weight of approximately 432.37 g/mol. It is sparingly soluble in water but soluble in most organic solvents. The compound exhibits limited reactivity, being stable under normal storage conditions but may undergo slow hydrolysis in aqueous solutions. It crystallizes as a white solid with a melting point around 150-155°C.

How is (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid (CAS: 287714-41-4) typically synthesized?
The compound is typically synthesized via a multi-step process involving the condensation of a fluorophenyl derivative with a pyrimidine intermediate, followed by the coupling of a propan-2-yl group and the introduction of a 3,5-dihydroxyhept-6-enoic acid moiety. Commonly used catalysts include phosphine-based ligands and palladium complexes. The synthetic route ensures high selectivity and yield, often achieving over 90% product purity.

What industries use (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid (CAS: 287714-41-4)?
The compound (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs targeting various diseases. It may also find applications in the polymer industry for developing advanced materials and in the sensor technology for detecting specific chemical compounds.

What precautions should be taken when handling (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid (CAS: 287714-41-4)?
When handling (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid, it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and lab coats. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, it is recommended to use absorbent materials and dispose of them according to local hazardous waste regulations. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.

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Supplier Information

(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid — ShangHaiMaiRuiErShengHua Technology Co Ltd

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(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid — Shenzen Excellero Biotechnology Co., Ltd.

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(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid — ShangHaiJiZhiShengHua Technology Co Ltd

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(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid — HuBeiYongKuo Technology Co Ltd

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