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(5-pyridin-3-ylfuran-2-yl)methanamine , CAS No.P609152, Inhibitor of CYP2A6

COA COA
In stock
Item Number
P609152
Grouped product items
SKU Size
Availability
 Price Qty
P609152-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,000.90
P609152-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,000.90
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CYP2A6 Inhibitor (4)

Basic Description

Synonyms DTXSID801296387 | (5-Pyridin-3-yl-2-furyl)methylamine | EN300-234906 | starbld0022844 | US8609708, 47 | CS-0065218 | DB07621 | compound 39a [PMID: 15634016] | 1-(5-pyridin-3-ylfuran-2-yl)methanamine | CHEBI:41804 | BDBM12345 | F2167-0893 | AKOS022808436 |
Specifications & Purity Moligand™
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of CYP2A6

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic nitrogen compounds
Class Organonitrogen compounds
Subclass Amines
Intermediate Tree Nodes Not available
Direct Parent Aralkylamines
Alternative Parents Pyridines and derivatives  Heteroaromatic compounds  Furans  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Monoalkylamines  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Aralkylamine - Pyridine - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Primary aliphatic amine - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
External Descriptors pyridines - furans - ring assembly

Associated Targets(Human)

CYP2A6 Tchem Cytochrome P450 2A6 (10 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver microsomes (16955 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2A13 Tchem Cytochrome P450 2A13 (65 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Acetylcholine-binding protein (240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name (5-pyridin-3-ylfuran-2-yl)methanamine
INCHI InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2
InChIKey LENAVORGWBTPJR-UHFFFAOYSA-N
Smiles NCc1ccc(o1)c1cccnc1
Isomeric SMILES C1=CC(=CN=C1)C2=CC=C(O2)CN
PubChem CID 11332763

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 174.200 g/mol
XLogP3 0.500
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 174.079 Da
Monoisotopic Mass 174.079 Da
Topological Polar Surface Area 52.100 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 163.000
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 1

Solution Calculators

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