ML-099 - ≥95% , CAS No.496775-95-2

CAS: 496775-95-2 Cat. No.: M333499 Formule: C14H13NO2S Poids moléculaire: 259.32
DISPONIBLE À COMMANDE
GRADE & PURITY ≥95%
Synonyms
2-(Phenethylthio)nicotinic acid | 2-[(2-phenylethyl)thio]nicotinic acid | CID-888706
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Allemagne (EU)
USA*
Price
Qty
5mg
M333499-5mg
—
3 En stock
156,11€
10mg
M333499-10mg
—
1 En stock
251,56€
25mg
M333499-25mg
—
1 En stock
503,20€
50mg
M333499-50mg
—
2 En stock
794,76€
100mg
M333499-100mg
—
1 En stock
1 110,62€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C 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.

Vue d’ensemble

ML-099 is a pan Ras-related GTPases activator that activates Rac1, Ras, GTP-binding protein (Rab7), Rab2A and cell division cycle 42.

Specifications

Synonymes
2-(Phenethylthio)nicotinic acid | 2-[(2-phenylethyl)thio]nicotinic acid | CID-888706
Spécifications et pureté
≥95%
Conditions de stockage de stockage
Store at -20°C
Expédié en
Ice chest + Ice pads
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Type d'action
ACTIVATOR
Pureté
≥95%
Noms et identifiants
Pubchem Sid528765506
Sourires canoniquesC1=CC=C(C=C1)CCSC2=C(C=CC=N2)C(=O)O
IUPAC Name2-(2-phenylethylsulfanyl)pyridine-3-carboxylic acid
InChIKeyUZERZZRWECLIKE-UHFFFAOYSA-N
INCHI1S/C14H13NO2S/c16-14(17)12-7-4-9-15-13(12)18-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,16,17)
Isomères SMILES C1=CC=C(C=C1)CCSC2=C(C=CC=N2)C(=O)O
Poids moléculaire 259.32
Reaxy-Rn 15622066
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15622066&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
SuperclassOrganoheterocyclic compounds
ClassePyridines and derivatives
SubclassPyridinecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyridinecarboxylic acids
Alternative Parents Alkylarylthioethers  Vinylogous thioesters  Benzene and substituted derivatives  Heteroaromatic compounds  Sulfenyl compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyridine carboxylic acid - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-1080 (3966 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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.

10 results found

Lot NumberCertificate TypeDateArticle
I2423430Certificate of AnalysisAug 09, 2024 M333499
I2423431Certificate of AnalysisAug 09, 2024 M333499
I2423432Certificate of AnalysisAug 09, 2024 M333499
I2423460Certificate of AnalysisAug 09, 2024 M333499
I2423463Certificate of AnalysisAug 09, 2024 M333499
I2423465Certificate of AnalysisAug 09, 2024 M333499
I2423471Certificate of AnalysisAug 09, 2024 M333499
I2423472Certificate of AnalysisAug 09, 2024 M333499
I2423473Certificate of AnalysisAug 09, 2024 M333499
I2423474Certificate of AnalysisAug 09, 2024 M333499
Propriétés chimiques et physiques
Poids moléculaire259.329 g/mol
XLogP33.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass259.067 Da
Monoisotopic Mass259.067 Da
Topological Polar Surface Area75.500 Ų
Heavy Atom Count18
Formal Charge0
Complexity267.000
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
Calculateurs de solution
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