A2626149Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C,Desiccated 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.
Specifications
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Purinergic P2Y receptor ligand. Displays irreversible antagonism at P2Y receptors in some smooth muscles but potentiates responses to ATP in other systems (chick brain recombinant P2Y1receptor and sympathetic/purinergic nerve stimulation).
Storage
Store at -20°C, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ALLOSTERIC MODULATOR
Mechanism of action
Allosteric modulator of P2Y 1 receptor
Purity
≥98%
Names and Identifiers
| Pubchem Sid | 504756964 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756964 |
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=N3 |
| IUPAC Name | 4-methylbenzenesulfonic acid;1-oxido-2-pyridin-2-ylindol-1-ium-3-one |
| InChIKey | MMPTYEXNPWSTOR-UHFFFAOYSA-N |
| INCHI | 1S/C13H8N2O2.C7H8O3S/c16-13-9-5-1-2-7-11(9)15(17)12(13)10-6-3-4-8-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10) |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=CC=N3 |
| PubChem CID | 124333 |
| MeSH Entry Terms | 2,2'-pyridylisatogen tosylate |
| Molecular Weight | 396.42 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | p-Methylbenzenesulfonates |
| Alternative Parents | Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Indoles and derivatives Aryl ketones Pyridines and derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Nitrones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Indole or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aryl ketone - Toluene - Pyridine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Nitrone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
P2RY1 Tchem P2Y purinoceptor 1 (1 Activities)
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VDR Tclin Vitamin D receptor (26531 Activities)
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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CASP1 Tchem Caspase-1 (6235 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
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Associated Targets(non-human)
lef Anthrax lethal factor (7585 Activities)
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rep Replicase polyprotein 1ab (378 Activities)
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Mapt Microtubule-associated protein tau (6 Activities)
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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
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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
| Solubility | Solvent:ethanol, Max Conc. mg/mL: 5.95, Max Conc. mM: 15 with gentle warming; Solvent:DMSO, Max Conc. mg/mL: 31.71, Max Conc. mM: 80 |
|---|---|
| Molecular Weight | 396.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 396.078 Da |
| Monoisotopic Mass | 396.078 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 571.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
Solution Calculators
Reviews
Customer Reviews
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