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BPN14770 - 98%, high purity , CAS No.1606974-33-7, Allosteric modulator of phosphodiesterase 4D

COA COA
In stock
Item Number
B413658
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SKU Size
Availability
 Price Qty
B413658-2mg
2mg
3
$132.90
B413658-5mg
5mg
2
$276.90
B413658-10mg
10mg
2
$513.90
B413658-25mg
25mg
2
$979.90
B413658-50mg
50mg
2
$1,583.90
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PDE4 Selective Inhibitors

View related series
Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395) Phosphodiesterase (PDE) (252) phosphodiesterase 4D Allosteric modulator (1)

Basic Description

Synonyms ZATOLMILAST [INN] | Zatolmilast | HY-117571 | 2-(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid | 1606974-33-7 | s6844 | Benzeneacetic acid, 4-((2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl)methyl)- | 2-[4-[[2-(3-ch
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms BPN14770 is a selective allosteric inhibitor of phosphodiesterase 4D (PDE4D) with IC50 of 7.8 nM and 7.4 nM for PDE4D7 and PDE4D3, respectively.
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™
Action Type ALLOSTERIC MODULATOR
Mechanism of action Allosteric modulator of phosphodiesterase 4D
Product Description

Information

BPN14770 is a selective allosteric inhibitor ofphosphodiesterase 4D (PDE4D)with IC50 of 7.8 nM and 7.4 nM for PDE4D7 and PDE4D3, respectively.


Targets

PDE4D3 (Cell-free assay); PDE4D7 (Cell-free assay) 7.4 nM; 7.8 nM

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Pyridines and derivatives
Subclass Phenylpyridines
Intermediate Tree Nodes Not available
Direct Parent Phenylpyridines
Alternative Parents Chlorobenzenes  Aryl chlorides  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organonitrogen compounds  Organofluorides  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents 2-phenylpyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors Not available

Product Properties

ALogP 6.3
hba_count 2
Rotatable Bond 6

Associated Targets(Human)

PDE4D Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4D (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PDE5A Tclin Phosphodiesterase 5A (5113 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE4A Tclin Phosphodiesterase 4A (1943 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE7B Tclin Phosphodiesterase 7B (96 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE1A Tclin Phosphodiesterase 1A (251 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE1B Tclin Phosphodiesterase 1B (178 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE4B Tclin Phosphodiesterase 4B (2748 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE1C Tclin Phosphodiesterase 1C (228 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
PDE3B Tclin Phosphodiesterase 3B (312 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE4C Tclin Phosphodiesterase 4C (258 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE7A Tclin Phosphodiesterase 7A (1104 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE11A Tchem Phosphodiesterase 11A (449 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
PDE9A Tchem Phosphodiesterase 9A (1131 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE10A Tclin Phosphodiesterase 10A (5542 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

PDE2A Phosphodiesterase 2A (77 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pde4d Phosphodiesterase 4D (4 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE6C Phosphodiesterase 6C (1 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pde8a Phosphodiesterase 8A (1 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mustela putorius furo (1007 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

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 504772561
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504772561
IUPAC Name 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl]phenyl]acetic acid
INCHI InChI=1S/C21H15ClF3NO2/c22-17-3-1-2-16(12-17)18-9-15(10-19(26-18)21(23,24)25)8-13-4-6-14(7-5-13)11-20(27)28/h1-7,9-10,12H,8,11H2,(H,27,28)
InChIKey LTSUMTMGJHPGFX-UHFFFAOYSA-N
Smiles C1=CC(=CC(=C1)Cl)C2=NC(=CC(=C2)CC3=CC=C(C=C3)CC(=O)O)C(F)(F)F
Isomeric SMILES C1=CC(=CC(=C1)Cl)C2=NC(=CC(=C2)CC3=CC=C(C=C3)CC(=O)O)C(F)(F)F
Alternate CAS 1606974-33-7
MeSH Entry Terms 2-(4-((2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)methyl)phenyl)acetic acid;BPN14770
Molecular Weight 405.8
Reaxy-Rn 26827686
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26827686&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
K2218376 Certificate of Analysis Aug 29, 2022 B413658
K2218385 Certificate of Analysis Aug 29, 2022 B413658
K2218378 Certificate of Analysis Aug 29, 2022 B413658
K2218225 Certificate of Analysis Aug 29, 2022 B413658
K2218270 Certificate of Analysis Aug 29, 2022 B413658

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 81 mg/mL (199.6 mM); Ethanol: 81 mg/mL (199.6 mM); Water: ˂1 mg/mL
DMSO(mg / mL) Max Solubility 81
DMSO(mM) Max Solubility 199.605717102021
Water(mg / mL) Max Solubility ˂1
Molecular Weight 405.800 g/mol
XLogP3 5.400
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 405.074 Da
Monoisotopic Mass 405.074 Da
Topological Polar Surface Area 50.200 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 522.000
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

Alternative Products

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    BPN14770, Allosteric modulator of phosphodiesterase 4D

    Starting at $241.90

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