Thrombin Inhibitor 2 - Moligand™, ≥99% , CAS No.312904-62-4

CAS: 312904-62-4 Cat. No.: T649742 Formule: C19H16ClF3N6O2 Poids moléculaire: 452.82 PubChem CID: 9955534
DISPONIBLE À COMMANDE
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. ≥99%
Synonyms
DPOC 4088 | MS-28240 | 2-(6-Chloro-3-((2,2-difluoro-2-(pyridin-2-yl)ethyl)amino)-2-oxopyrazin-1(2H)-yl)-N-((3-fluoropyridin-2-yl)methyl)acetamide | AKOS040742739
Storage
Protected from light,Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
★
Size
Allemagne (EU)
USA*
Price
Qty
1mg
T649742-1mg
Sur commande · 8–12 semaines
402,54€
5mg
T649742-5mg
Sur commande · 8–12 semaines
1 006,49€
10mg
T649742-10mg
Sur commande · 8–12 semaines
1 561,84€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,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.

Vue d’ensemble

Thrombin Inhibitor 2 is a small molecule direct thrombin inhibitor, extracted from US8541580B2. Thrombin Inhibitor 2 has antithrombotic activity.

Specifications

Synonymes
DPOC 4088 | MS-28240 | 2-(6-Chloro-3-((2,2-difluoro-2-(pyridin-2-yl)ethyl)amino)-2-oxopyrazin-1(2H)-yl)-N-((3-fluoropyridin-2-yl)methyl)acetamide | AKOS040742739
Spécifications et pureté
Moligand™, ≥99%
Conditions de stockage de stockage
Protected from light,Store at -20°C,Desiccated
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.
Grade
Moligand™
Pureté
≥99%
Noms et identifiants
Sourires canoniques
C1=CC=NC(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC=N3)F)Cl)(F)F
IUPAC Name
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(3-fluoropyridin-2-yl)methyl]acetamide
InChIKey
AATHXZYXWMKUFC-UHFFFAOYSA-N
INCHI
1S/C19H16ClF3N6O2/c20-15-9-27-17(28-11-19(22,23)14-5-1-2-6-25-14)18(31)29(15)10-16(30)26-8-13-12(21)4-3-7-24-13/h1-7,9H,8,10-11H2,(H,26,30)(H,27,28)
Isomères SMILES
C1=CC=NC(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC=N3)F)Cl)(F)F
CAS alternatif
312904-62-4
PubChem CID
9955534
Poids moléculaire
452.82

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
ClasseDiazines
SubclassPyrazines
Intermediate Tree Nodes Not available
Direct ParentAminopyrazines
Alternative Parents Pyridines and derivatives  Imidolactams  Aryl fluorides  Aryl chlorides  Heteroaromatic compounds  Secondary carboxylic acid amides  Lactams  Azacyclic compounds  Organofluorides  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Amines  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aminopyrazine - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aminopyrazines. These are organic compounds containing an amino group attached to a pyrazine ring.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
F2 Tclin Prothrombin (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
F2 Tclin Thrombin (11687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PRSS1 Tclin Trypsin I (2306 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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Rattus norvegicus (775804 Activities)
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Rhesus monkey (3147 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:
Propriétés chimiques et physiques
SolubilitéDMSO : 50 mg/mL (110.42 mM; ultrasonic and warming and heat to 60°C)
Sensibilitélight & Moisture sensitive
Poids moléculaire452.800 g/mol
XLogP31.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass452.098 Da
Monoisotopic Mass452.098 Da
Topological Polar Surface Area99.600 Ų
Heavy Atom Count31
Formal Charge0
Complexity735.000
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
Avis

Avis des clients

Foire aux questions

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.
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 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 312904-62-4, the molecular formula is C19H16ClF3N6O2, and the molecular weight is 452.82 g/mol. InChIKey AATHXZYXWMKUFC-UHFFFAOYSA-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.

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