N-Benzyl-p-Toluenesulfonamide - ≥98%(HPLC) , CAS No.1576-37-0

CAS: 1576-37-0 Cat. No.: N131765 Molecular Weight: 261.34 Beilstein Registry Number: 12(3)2328 EC Number: 622-364-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Synonyms
3-12-00-02328 (Beilstein Handbook Reference) | N-Tosylbenzylamine | Oprea1_824524 | AS-15817 | SR-01000597548 | HMS3412L18 | HMS3676L18 | METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE | HMS1534G12 | Oprea1_691087 |
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
5g
N131765-5g
6

$33.90

$50.90
Save $17.00 (33.40%)
25g
N131765-25g
4

$115.90

$173.90
Save $58.00 (33.35%)
100g
N131765-100g
1

$383.90

$575.90
Save $192.00 (33.34%)
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C,Argon charged 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.

Overview

product description:

An aryl sulphonamide that acts as a potent inhibitor of Ca2+-stimulated myosin S1 actin-stimulated ATPase activity (IC50 = ~5 µM). Also blocks actin-stimulated ATPase activity with similar potency (IC50 = 5 µM). Reversibly blocks gliding motility of skeletal muscle myosin (IC50<2 µM). Less effective in suppressing contraction in rat myocardial and rabbit slow twitch muscle compared to skeletal muscle. Does not inhibit platelet myosin II.

A potent inhibitor of Ca2+-stimulated myosin S1 ATPase (IC50 = ~ 5 µM) and reversibly blocks the gliding motility. It also weakens myosin’s interaction with F-actin. Much less effective in suppressing contraction in rat myocardial or rabbit slow twitch muscle and has no effect on platelet myosin II.

Specifications

Synonyms
3-12-00-02328 (Beilstein Handbook Reference) | N-Tosylbenzylamine | Oprea1_824524 | AS-15817 | SR-01000597548 | HMS3412L18 | HMS3676L18 | METHYL 2-[(S)-3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-HYDROXYPROPYL]BENZOATE | HMS1534G12 | Oprea1_691087 |
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Selective inhibitor of Ca 2+ -stimulated myosin S1 ATPase (IC 50 = ~5 µM). Reversibly blocks the gliding motility and weakens myosin’s interaction with F-actin.Target IC50: ~5 µM against Ca2+-stimulated myosin S1 ATPase Product does not compete with ATP.
Storage
Protected from light, Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%(HPLC)
Names and Identifiers
Pubchem Sid504756287
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504756287
Canonical SmilesCC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2
IUPAC NameN-benzyl-4-methylbenzenesulfonamide
InChIKeyWTHKAJZQYNKTCJ-UHFFFAOYSA-N
INCHI1S/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2
RTECS XT5490000
Molecular Weight 261.34
Beilstein 12(3)2328
Reaxy-Rn 2217277
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2217277&ln=

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Tosyl compounds
Direct ParentP-toluenesulfonamides
Alternative Parents Benzenesulfonamides  Benzenesulfonyl compounds  Organosulfonamides  Aminosulfonyl compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents P-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA9 Tclin Carbonic anhydrase 9 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATM Tchem Serine-protein kinase ATM (4198 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 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.

9 results found

Lot NumberCertificate TypeDateItem
C2613132Certificate of AnalysisMar 19, 2026 N131765
L2121042Certificate of AnalysisJul 14, 2025 N131765
D2315257Certificate of AnalysisApr 23, 2023 N131765
D2315258Certificate of AnalysisApr 23, 2023 N131765
D2315287Certificate of AnalysisApr 23, 2023 N131765
D2315293Certificate of AnalysisApr 23, 2023 N131765
D2315863Certificate of AnalysisApr 23, 2023 N131765
D2315872Certificate of AnalysisApr 23, 2023 N131765
E2011034Certificate of AnalysisApr 13, 2022 N131765
Chemical and Physical Properties
SolubilityChloroform (Slightly), Dichloromethane, Ethyl Acetate (Slightly)
Sensitivitylight sensitive
Melt Point(°C)115 °C
Molecular Weight261.339 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass261.082 Da
Monoisotopic Mass261.082 Da
Topological Polar Surface Area54.600 Ų
Heavy Atom Count18
Formal Charge0
Complexity333.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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
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