Aliskiren Hemifumarate - ≥98% , Renin inhibitor, CAS No.173334-58-2, Renin inhibitor

CAS: 173334-58-2 Cat. No.: A129231 Molecular Weight: 609.83 EC Number: 630-415-8 PubChem CID: 6918427
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
CHEBI:141362 | SCHEMBL187762 | ALISKIREN HEMIFUMARATE [MI] | AMTURNIDE COMPONENT ALISKIREN HEMIFUMARATE | Aliskiren fumarate (JAN/USAN) | NSC-759185 | RASITRIO COMPONENT ALISKIREN HEMIFUMARATE | CCG-270658 | STL557239 | AKOS015896419 | UNII-C8A0P8G029 | (
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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10mg
A129231-10mg
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50mg
A129231-50mg
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A129231-100mg
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250mg
A129231-250mg
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500mg
A129231-500mg
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1g
A129231-1g
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5g
A129231-5g
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Why this grade

≥98% 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

Aliskiren hemifumarate is a direct renin inhibitor with IC50 of 1.5 nM.

Specifications

Synonyms
CHEBI:141362 | SCHEMBL187762 | ALISKIREN HEMIFUMARATE [MI] | AMTURNIDE COMPONENT ALISKIREN HEMIFUMARATE | Aliskiren fumarate (JAN/USAN) | NSC-759185 | RASITRIO COMPONENT ALISKIREN HEMIFUMARATE | CCG-270658 | STL557239 | AKOS015896419 | UNII-C8A0P8G029 | (
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Potent renin inhibitor (IC50= 0.6 and 80 nM for human and rat respectively). Exhibits selectivity for renin over a range of other aspartic proteinases (>5000 nM). Lowers blood pressure in a hypertensive rodent model. Orally active.
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
Mechanism of action
Renin inhibitor
Purity
≥98%
Names and Identifiers
Pubchem Sid488195878
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195878
Canonical SmilesCC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.CC(C)C(CC1=CC(=C(C=C1)OC)OCCCOC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=CC(=O)O)C(=O)O
IUPAC Name(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanamide;(E)-but-2-enedioic acid
InChIKeyKLRSDBSKUSSCGU-KRQUFFFQSA-N
INCHI1S/2C30H53N3O6.C4H4O4/c2*1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;5-3(6)1-2-4(7)8/h2*10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*22-,23-,24-,25-;/m00./s1
Isomeric SMILES CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.C(=C/C(=O)O)\C(=O)O
PubChem CID 6918427
Molecular Weight 609.83

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
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives
Direct ParentDelta amino acids and derivatives
Alternative Parents Beta amino acids and derivatives  Phenylbutylamines  Anisoles  Methoxybenzenes  Phenoxy compounds  Alkyl aryl ethers  Aralkylamines  N-acyl amines  Dicarboxylic acids and derivatives  Unsaturated fatty acids  1,2-aminoalcohols  Secondary carboxylic acid amides  Primary carboxylic acid amides  Secondary alcohols  Dialkyl ethers  Carboxylic acids  Organopnictogen compounds  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkNot available
Substituents Delta amino acid or derivatives - Phenylbutylamine - Beta amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Fatty acid - Benzenoid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Monocyclic benzene moiety - 1,2-aminoalcohol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid - Amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
External Descriptors fumarate salt
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
REN Tclin Renin (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
REN Tclin Renin (5251 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC4 Tchem Multidrug resistance-associated protein 4 (785 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
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 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:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeDateItem
A1516024Certificate of AnalysisJun 15, 2026 A129231
G2208061Certificate of AnalysisFeb 05, 2026 A129231
G2208063Certificate of AnalysisJan 20, 2026 A129231
G2208064Certificate of AnalysisJan 20, 2026 A129231
G2208065Certificate of AnalysisJan 20, 2026 A129231
G2208062Certificate of AnalysisApr 07, 2024 A129231
C23031331Certificate of AnalysisMar 31, 2023 A129231
Chemical and Physical Properties
SolubilitySolvent:water, Max Conc. mg/mL: 60.98, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 60.98, Max Conc. mM: 100
SensitivityHeat, light sensitive
Molecular Weight1219.600 g/mol
XLogP3
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count40
Exact Mass1218.8 Da
Monoisotopic Mass1218.8 Da
Topological Polar Surface Area367.000 Ų
Heavy Atom Count86
Formal Charge0
Complexity836.000
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count3
Solution Calculators
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