4-[4-[[(1R)-6-[2-[2-[[(2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]ethoxy]ethoxy]-1-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,4-dihydro-2H-isoquinolin-7-yl]oxy]-2-fluo, proprotein convertase subtilisin/kexin type 9

CAS: R608778 Cat. No.: R608778 PubChem CID: 139592542
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
compound 16
Storage
Room temperature
★
Size
USA
Germany (EU)*
Price
Qty
5mg
R608778-5mg
Made to order · 8–12 wks
$799.90
25mg
R608778-25mg
Made to order · 8–12 wks
$1,714.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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.

Specifications

Synonyms
compound 16
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Mechanism of action
proprotein convertase subtilisin/kexin type 9
Names and Identifiers
Canonical SmilesCC(OC(=O)N[C@H](C(=O)NCCOCCOc1cc2CCN[C@](c2cc1Oc1ccc(c(c1)F)c1ccc(cc1)C(=O)O)(C)CC(=O)Nc1nccs1)CCCN/C(=N/C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)(C)C
IUPAC Name4-[4-[[(1R)-6-[2-[2-[[(2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]ethoxy]ethoxy]-1-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,4-dihydro-2H-isoquinolin-7-yl]oxy]-2-fluorophenyl]benzoic acid
InChIKeyBOAJXEFAPWTSFX-FXASYPJLSA-N
INCHI1S/C53H69FN8O13S/c1-50(2,3)73-47(67)59-39(12-11-20-56-45(61-48(68)74-51(4,5)6)62-49(69)75-52(7,8)9)43(64)55-22-24-70-25-26-71-40-28-34-19-21-58-53(10,31-42(63)60-46-57-23-27-76-46)37(34)30-41(40)72-35-17-18-36(38(54)29-35)32-13-15-33(16-14-32)44(65)66/h13-18,23,27-30,39,58H,11-12,19-22,24-26,31H2,1-10H3,(H,55,64)(H,59,67)(H,65,66)(H,57,60,63)(H2,56,61,62,68,69)/t39-,53+/m0/s1
PubChem CID 139592542

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 - Alpha amino acids and derivatives
Direct ParentArginine and derivatives
Alternative Parents Biphenyls and derivatives  Alpha amino acid amides  Diarylethers  Beta amino acids and derivatives  Tetrahydroisoquinolines  Benzoic acids  Phenoxy compounds  Phenol ethers  N-arylamides  Benzoyl derivatives  Fluorobenzenes  Aralkylamines  Alkyl aryl ethers  N-acyl amines  Aryl fluorides  Thiazoles  Heteroaromatic compounds  Carbamate esters  Secondary carboxylic acid amides  Organic carbonic acids and derivatives  Guanidines  Amino acids  Propargyl-type 1,3-dipolar organic compounds  Monocarboxylic acids and derivatives  Dialkylamines  Dialkyl ethers  Carboxylic acids  Carboximidamides  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Imines  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Arginine or derivatives - Biphenyl - Alpha-amino acid amide - Diaryl ether - Beta amino acid or derivatives - Tetrahydroisoquinoline - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - N-arylamide - Phenol ether - Benzoyl - Aralkylamine - Halobenzene - Fluorobenzene - Alkyl aryl ether - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Carbamic acid ester - Thiazole - Azole - Amino acid - Secondary carboxylic acid amide - Carbonic acid derivative - Guanidine - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Carbonyl group - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as arginine and derivatives. These are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PCSK9 Tclin Proprotein convertase subtilisin/kexin type 9 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Solution Calculators
Reviews

Customer Reviews

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.