Pivalopril - ≥99% , CAS No.81045-50-3

CAS: 81045-50-3 Cat. No.: P648368 分子式: C16H27NO4S 分子量: 329.45 PubChem CID: 6917956
注文可能
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
★
Size
USA
ドイツ (EU)*
Price
Qty
5mg
P648368-5mg
受注生産 · 8~12週間
$1,020.90
10mg
P648368-10mg
受注生産 · 8~12週間
$1,640.90
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

概要

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

同義語
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
仕様と純度
≥99%
生化学的・生理学的メカニズム
Pivalopril is a new orally active angiotensin converting enzyme ( ACE ) inhibitor.
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
アクションタイプ
INHIBITOR
純度
≥99%
名前と識別子
カノニカル・スマイル
CC(CSC(=O)C(C)(C)C)C(=O)N(CC(=O)O)C1CCCC1
IUPAC Name
2-[cyclopentyl-[(2S)-3-(2,2-dimethylpropanoylsulfanyl)-2-methylpropanoyl]amino]acetic acid
InChIKey
XRKXJJYSKUIIEN-LLVKDONJSA-N
INCHI
1S/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
異性体SMILES
C[C@H](CSC(=O)C(C)(C)C)C(=O)N(CC(=O)O)C1CCCC1
代替CAS番号
81045-50-3
PubChem CID
6917956
MeSH用語
N-cyclopentyl-N-(3-((2,2-dimethyl-1-oxopropyl)thio)-2-methyl-1-oxypropyl)glycine;pivalopril;RHC 3659;RHC-3659
分子量
329.45

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
分類Carboxylic 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
説明This 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
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
ACE Tclin Angiotensin-converting enzyme (1423 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
溶解度DMSO : 90 mg/mL (273.18 mM; Need ultrasonic)
分子量329.500 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
ソリューション計算機
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