Pivalopril - ≥99% , CAS No.81045-50-3

CAS: 81045-50-3 Cat. No.: P648368 Molecular Weight: 329.45 PubChem CID: 6917956
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
2-[cyclopentyl-[(2S)-3-(2,2-dimethylpropanoylsulanyl)-2-methylpropanoyl]amino]acetic acid | CHEBI:188840 | STK347863 | (S)-N-cyclopentyl-N-(2-methyl-3-(pivaloylthio)propanoyl)glycine | PIVOPRIL | USV 3659(S) | Benzimidazole, 2-amino-1-methyl- | p-Phenylbe
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
5mg
P648368-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,020.90
10mg
P648368-10mg
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$1,640.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Pivalopril is a new orally active angiotensin converting enzyme ( ACE ) inhibitor.

In Vivo

Pivalopril is a new compound with a hindered sulfur group that has been compared to Captopril for oral angiotensin-converting enzyme (ACE) inhibition in rats and dogs and antihypertensive activity in rats. In separate groups of conscious normotensive rats, Pivalopril (0.03-1.0 mg/kg, orally [p.o.]) produces a dose-related antagonism of angiotensin I (AngI)-induced pressor effects. The ED 50 for Pivalopril and Captopril is 0.1 mg/kg. In conscious normotensive dogs, Pivalopril (incremental doses of 0.01-1.0 mg/kg, p.o.) produces a dose-related antagonism of AngI pressor effects. The ED 50 is 0.17 mg/kg for Pivalopril and 0.06 mg/kg for Captopril. At equieffective doses the two compounds have similar durations of action. In sodium-deficient, conscious spontaneously hypertensive rats (SHR), Pivalopril (1-100 mg/kg, p.o.) produces a dose-related reduction in mean arterial pressure. The potency and duration are similar to those of Captopril. In the sodium-replete SHR, 5 days of oral dosing with Pivalopril (100 mg/kg per day) decreases mean arterial pressure more effectively than Captopril (100 mg/kg per day). It is concluded that Pivalopril is a potent, orally effective ACE inhibitor and antihypertensive agent. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:ACE

Specifications

Synonyms
2-[cyclopentyl-[(2S)-3-(2, 2-dimethylpropanoylsulanyl)-2-methylpropanoyl]amino]acetic acid | CHEBI:188840 | STK347863 | (S)-N-cyclopentyl-N-(2-methyl-3-(pivaloylthio)propanoyl)glycine | PIVOPRIL | USV 3659(S) | Benzimidazole, 2-amino-1-methyl- | p-Phenylbe
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
Pivalopril is a new orally active angiotensin converting enzyme ( ACE ) inhibitor.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Canonical SmilesCC(CSC(=O)C(C)(C)C)C(=O)N(CC(=O)O)C1CCCC1
IUPAC Name2-[cyclopentyl-[(2S)-3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]amino]acetic acid
InChIKeyXRKXJJYSKUIIEN-LLVKDONJSA-N
INCHI1S/C16H27NO4S/c1-11(10-22-15(21)16(2,3)4)14(20)17(9-13(18)19)12-7-5-6-8-12/h11-12H,5-10H2,1-4H3,(H,18,19)/t11-/m1/s1
Isomeric SMILES C[C@H](CSC(=O)C(C)(C)C)C(=O)N(CC(=O)O)C1CCCC1
Alternate CAS 81045-50-3
PubChem CID 6917956
MeSH Entry Terms N-cyclopentyl-N-(3-((2,2-dimethyl-1-oxopropyl)thio)-2-methyl-1-oxypropyl)glycine;pivalopril;RHC 3659;RHC-3659
Molecular Weight 329.45

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
Direct ParentN-acyl-alpha amino acids
Alternative Parents Tertiary carboxylic acid amides  Thioesters  Carbothioic S-esters  Sulfenyl compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents N-acyl-alpha-amino acid - Tertiary carboxylic acid amide - Carboxamide group - Thiocarboxylic acid ester - Carbothioic s-ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ACE Tclin Angiotensin-converting enzyme (1423 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 90 mg/mL (273.18 mM; Need ultrasonic)
Molecular Weight329.500 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass329.166 Da
Monoisotopic Mass329.166 Da
Topological Polar Surface Area100.000 Ų
Heavy Atom Count22
Formal Charge0
Complexity424.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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