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Technical details about BPN14770, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Bpn14770, Zatolmilast, 1606974-33-7, Bpn-14770, Zatolmilast [usan], Chembl4541964
Molecular Formula
C21H15ClF3NO2
Molecular Weight
405.8  g/mol
InChI Key
LTSUMTMGJHPGFX-UHFFFAOYSA-N
FDA UNII
G786V328X6

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl]phenyl]acetic acid
2.1.2 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)
2.1.3 InChI Key
LTSUMTMGJHPGFX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)Cl)C2=NC(=CC(=C2)CC3=CC=C(C=C3)CC(=O)O)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
G786V328X6
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Bpn14770

2.3.2 Depositor-Supplied Synonyms

1. Bpn14770

2. Zatolmilast

3. 1606974-33-7

4. Bpn-14770

5. Zatolmilast [usan]

6. Chembl4541964

7. G786v328x6

8. (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic Acid

9. 2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl]phenyl]acetic Acid

10. Benzeneacetic Acid, 4-((2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyridinyl)methyl)-

11. 2-(4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic Acid

12. Zatolmilast [inn]

13. Schembl15660260

14. Unii-g786v328x6

15. Gtpl10451

16. Ex-a5653

17. Bdbm50524994

18. S6844

19. Who 11495

20. Compound 28 [pmid: 31013090]

21. Hy-117571

22. Cs-0066529

23. Kr7

2.4 Create Date
2015-02-13
3 Chemical and Physical Properties
Molecular Weight 405.8 g/mol
Molecular Formula C21H15ClF3NO2
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass405.0743409 g/mol
Monoisotopic Mass405.0743409 g/mol
Topological Polar Surface Area50.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity522
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Phosphodiesterase 4 Inhibitors

Compounds that specifically inhibit PHOSPHODIESTERASE 4. (See all compounds classified as Phosphodiesterase 4 Inhibitors.)


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