S 3304 - Moligand™, ≥97% , CAS No.203640-27-1

CAS: 203640-27-1 Cat. No.: S649986 Formula: C₂₄H₂₀N₂O₄S₂ Molecular Weight: 464.6 PubChem CID: 10718956

GRADE & PURITY Moligand™, ≥97%

Synonyms

BDBM50063129 | DTXSID20174292 | SCHEMBL2380826 | (R)-3-(1H-Indol-3-yl)-2-(5-(p-tolylethynyl)thiophene-2-sulfonamido)propanoic acid | DS-19841 | D-Tryptophan, N-((5-(2-(4-methylphenyl)ethynyl)-2-thienyl)sulfonyl)- | AKOS030593350 | D-Tryptophan, N-[[5-[2-(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

S 3304 is a novel matrix metalloproteinase inhibitor, specifically targeting MMP-2 and MMP-9.

Specifications

Synonyms

BDBM50063129 | DTXSID20174292 | SCHEMBL2380826 | (R)-3-(1H-Indol-3-yl)-2-(5-(p-tolylethynyl)thiophene-2-sulfonamido)propanoic acid | DS-19841 | D-Tryptophan, N-((5-(2-(4-methylphenyl)ethynyl)-2-thienyl)sulfonyl)- | AKOS030593350 | D-Tryptophan, N-[[5-[2-(

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

S 3304 is a novel matrix metalloproteinases (MMP) inhibitor specific for MMP-2 and MMP-9. S 3304 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide

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.

Grade

Moligand™

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O
• IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]propanoic acid
• InChIKey: YWCLDDLVLSQGSZ-JOCHJYFZSA-N
• INCHI: 1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
• Isomeric SMILES: CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O
• Alternate CAS: 203640-27-1
• PubChem CID: 10718956
• MeSH Entry Terms: S 3304;S-3304;S3304 cpd
• Molecular Weight: 464.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: 3-alkylindoles Toluenes 2,5-disubstituted thiophenes Substituted pyrroles Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Toluene - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Substituted pyrrole - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrrole - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MMP9 Tchem Matrix metalloproteinase-9 (2 Activities)

Discover Target: MMP9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP2 Tchem 72 kDa type IV collagenase (2 Activities)

Discover Target: MMP2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MME Tclin Neprilysin (838 Activities)

Discover Target: MME

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ECE1 Tchem Endothelin-converting enzyme 1 (674 Activities)

Discover Target: ECE1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP7 Tchem Matrix metalloproteinase 7 (1073 Activities)

Discover Target: MMP7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 83.3 mg/mL (179.31 mM)
• Molecular Weight: 464.600 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 464.086 Da
• Monoisotopic Mass: 464.086 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 835.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 203640-27-1, the molecular formula is C24H20N2O4S2, and the molecular weight is 464.6 g/mol. InChIKey YWCLDDLVLSQGSZ-JOCHJYFZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.