Pitavastatin lactone

HCID 9801294
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Basic information

CAS
141750-63-2
Standard SMILES
O=C1C[C@H](O)C[C@@H](/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)O1
InChIKey
XJVKVAFYQRWVAJ-MCBHFWOFSA-N
Molecular formula
C25H22FNO3
Average molar mass
403.4 g/mol
Monoisotopic mass
403.15837173

Names & identifiers

Preferred name
Pitavastatin lactone
IUPAC
(4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
English name
PITAVASTATIN LACTONE
Molecular formula
C25H22FNO3
Molecular weight
403.45

Names & synonyms

Pitavastatin Lactone141750-63-2NK-104 (lactone)ULK88EV7VQP-87244(4R,6S)-6-((1E)-2-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)ethenyl)tetrahydro-4-hydroxy-2H-pyran-2-one2H-Pyran-2-one, 6-((1E)-2-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)ethenyl)tetrahydro-4-hydroxy-, (4R,6S)-(4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]tetrahydro-4-hydroxy-2H-pyran-2-oneRefChem:174590Nisvastatin(4R,6S)-6-((E)-2-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)vinyl)-4-hydroxytetrahydro-2H-pyran-2-onePitavastatin Impurity A
Show more names
Pitavastatin Lactone D5Pitavastatin calcium lactone(4R,6S)-6-((E)-2-(2-cyclopropylPitavastatin Lactone DISCONTINUEDPitavastatin lactone, 10 mM in DMSO
Pitavastatin lactone [MI](4R,6S)-6-[(E)-2-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)QUINOLIN-3-YL]ETHENYL]-4-HYDROXYOXAN-2-ONEC25H22FNO3Pitavastatin Impurity 4UNII-ULK88EV7VQPivastatin lactone impuritySCHEMBL247233Pitavastatin calcium impurity D

Database identifiers

CAS
141750-63-2
PubChem CID
9801294
UNII
ULK88EV7VQ
Nikkaji
J671.624E

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
59.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

Physicochemical properties

Melting point
92 · 92-95°C
alpha
32 · D32 +8.84° (c = 0.92 in chloroform)
Boiling point
616.9 · 616.9±55.0 °C(Predicted)
Density
1.372 · 1.372±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility
Chloroform

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319
Precautionary statements
P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationCompounds that inhibit HYDROXYMETHYLGLUTARYL COA REDUCTASES. They have been shown to directly lower CHOLESTEROL synthesis.

Applications

UsesLactone form of Pitavastatin; a HMG-CoA reductase inhibitor. Recent studies have shown that conversion between acid and lactone forms occurs in the body, drug-drug interaction should be considered on both acid and lactone forms.

Suppliers100 total

天津始加生物医药科技有限公司15022261580 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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