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MMV-390048 - 97%, high purity , CAS No.1314883-11-8

COA COA
In stock
Item Number
M173331
Grouped product items
SKU Size
Availability
 Price Qty
M173331-1mg
1mg
3
$39.90
M173331-5mg
5mg
3
$162.90
M173331-25mg
25mg
3
$543.90
M173331-50mg
50mg
2
$870.90
M173331-100mg
100mg
2
$1,360.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Anti-infection (2803) Parasite (997) PI3K/Akt/mTOR (765) PI4K (21) Plasmodium falciparum phosphatidylinositol 4-kinase beta (7)

Basic Description

Synonyms 0Z5T00JJ10 | AKOS030628490 | SCHEMBL2225969 | 3-(2-(Trifluoromethyl)pyridin-5-yl)-5-(4-(methylsulfonyl)- phenyl)pyridin-2-amine | MMV390048 | MMV-390048 | J3.367.891F | HY-106005 | 5-(4-(Methylsulfonyl)phenyl)-6'-(trifluoromethyl)-[3,3'-bipyridin]-2-amine
Specifications & Purity Moligand™, ≥97%
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Product Description

Product Describtion:

MMV-390048, an antimalarial agent, is an inhibitor of Plasmodium PI4K with Kd of 0.3 μM.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Pyridines and derivatives
Subclass Bipyridines and oligopyridines
Intermediate Tree Nodes Not available
Direct Parent Bipyridines and oligopyridines
Alternative Parents Phenylpyridines  Benzenesulfonyl compounds  Aminopyridines and derivatives  Imidolactams  Sulfones  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Bipyridine - 3-phenylpyridine - Benzenesulfonyl group - Aminopyridine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Sulfone - Sulfonyl - Heteroaromatic compound - Azacycle - Alkyl fluoride - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Amine - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
External Descriptors Not available

Associated Targets(Human)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 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
Liver microsomes (16955 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver (3974 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4/3A5 (100 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Salmonella typhimurium (15756 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium berghei (192651 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
L6 (7924 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium cynomolgi (553 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 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

Pubchem Sid 504771141
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771141
IUPAC Name 5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-amine
INCHI InChI=1S/C18H14F3N3O2S/c1-27(25,26)14-5-2-11(3-6-14)13-8-15(17(22)24-10-13)12-4-7-16(23-9-12)18(19,20)21/h2-10H,1H3,(H2,22,24)
InChIKey RTJQABCNNLMCJF-UHFFFAOYSA-N
Smiles CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(N=C2)N)C3=CN=C(C=C3)C(F)(F)F
Isomeric SMILES CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(N=C2)N)C3=CN=C(C=C3)C(F)(F)F
Molecular Weight 393.383
Reaxy-Rn 21611242
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21611242&ln=

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.

5 results found

Lot Number Certificate Type Date Item
C2209598 Certificate of Analysis Dec 06, 2024 M173331
C2209597 Certificate of Analysis Dec 06, 2024 M173331
C2209178 Certificate of Analysis Dec 06, 2024 M173331
C2209593 Certificate of Analysis Dec 06, 2024 M173331
C2209594 Certificate of Analysis Dec 06, 2024 M173331

Chemical and Physical Properties

Molecular Weight 393.400 g/mol
XLogP3 2.800
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 3
Exact Mass 393.076 Da
Monoisotopic Mass 393.076 Da
Topological Polar Surface Area 94.300 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 600.000
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

Reviews

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Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
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