L-873724 - Moligand™,≥98% , CAS No.603139-12-4

CAS: 603139-12-4 Cat. No.: L647054 Molecular Weight: 481.53 PubChem CID: 9913088
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. ≥98%
Synonyms
(+)-L-873724 | MS-28951 | 29250PP3ON | AKOS040742150 | (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfon | L873724 | L-873724 | UNII-29250PP3ON | GTPL7860 | HY-50887 | Pentanamide, N-(cyanomethyl)-4-methyl-2-(((1S)-2,2,2-trifluor
Storage
Store at 2-8°C,Protected from light,Argon charged,Desiccated
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
L647054-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$149.90
5mg
L647054-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$539.90
10mg
L647054-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$749.90
25mg
L647054-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,299.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged,Desiccated Ships Wet ice 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
(+)-L-873724 | MS-28951 | 29250PP3ON | AKOS040742150 | (2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2, 2, 2-trifluoro-1-[4-(4-methylsulfon | L873724 | L-873724 | UNII-29250PP3ON | GTPL7860 | HY-50887 | Pentanamide, N-(cyanomethyl)-4-methyl-2-(((1S)-2, 2, 2-trifluor
Specifications & Purity
Moligand™, ≥98%
Storage
Store at 2-8°C, Protected from light, Argon charged, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Canonical SmilesCC(C)CC(C(=O)NCC#N)NC(C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F
IUPAC Name(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
InChIKeyVYFDSJLOCIGIKP-SFTDATJTSA-N
INCHI1S/C23H26F3N3O3S/c1-15(2)14-20(22(30)28-13-12-27)29-21(23(24,25)26)18-6-4-16(5-7-18)17-8-10-19(11-9-17)33(3,31)32/h4-11,15,20-21,29H,13-14H2,1-3H3,(H,28,30)/t20-,21-/m0/s1
Isomeric SMILES CC(C)C[C@@H](C(=O)NCC#N)N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F
Alternate CAS 603139-12-4
PubChem CID 9913088
MeSH Entry Terms L-873724
Molecular Weight 481.53

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 ParentLeucine and derivatives
Alternative Parents Biphenyls and derivatives  Alpha amino acid amides  Benzenesulfonyl compounds  Aralkylamines  N-acyl amines  Sulfones  Secondary carboxylic acid amides  Nitriles  Dialkylamines  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Leucine or derivatives - Alpha-amino acid amide - Biphenyl - Benzenesulfonyl group - Aralkylamine - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Sulfonyl - Sulfone - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Secondary aliphatic amine - Carbonitrile - Nitrile - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Carbonyl group - Cyanide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine 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)
CTSL Tclin Cathepsin L1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CTSS Tchem Cathepsin S (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CTSK Tchem Cathepsin K (7 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CTSB Tchem Cathepsin B (3822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSK Tchem Cathepsin K (3011 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSS Tchem Cathepsin S (3285 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
CTSL Cathepsin L (58 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhesus monkey (3147 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 : 100 mg/mL (207.67 mM; Need ultrasonic)
SensitivityLight sensitive, Moisture sensitive
Molecular Weight481.500 g/mol
XLogP34.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass481.165 Da
Monoisotopic Mass481.165 Da
Topological Polar Surface Area107.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity785.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
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
Reviews

Customer Reviews

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