loader
Please Wait
Applying Filters...

Suanfarma Suanfarma

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about ITI214, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    ITI214

    DEVELOPMENTS

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Lenrispodun, 1160521-50-5, Iti-214, Iti-214 free base, Iti-214f, Lenrispodun [usan]
    Molecular Formula
    C29H26FN7O
    Molecular Weight
    507.6  g/mol
    InChI Key
    BBIPVJCGIASXJB-PKTZIBPZSA-N
    FDA UNII
    3GBO34D1BE
    ITI-214 is under investigation in clinical trial NCT03489772 (Study of ITI-214 in Healthy Volunteers to Determine CNS Engagement).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (11R,15S)-5-anilino-4-[[4-(6-fluoropyridin-2-yl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
    2.1.2 InChI
    InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1
    2.1.3 InChI Key
    BBIPVJCGIASXJB-PKTZIBPZSA-N
    2.1.4 Canonical SMILES
    CN1C(=O)C2=C(N(N=C2N3C1=NC4C3CCC4)CC5=CC=C(C=C5)C6=NC(=CC=C6)F)NC7=CC=CC=C7
    2.1.5 Isomeric SMILES
    CN1C(=O)C2=C(N(N=C2N3C1=N[C@H]4[C@@H]3CCC4)CC5=CC=C(C=C5)C6=NC(=CC=C6)F)NC7=CC=CC=C7
    2.2 Other Identifiers
    2.2.1 UNII
    3GBO34D1BE
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(4-(6-fluoropyridin-2-yl)benzyl)-5-methyl-3-(phenylamino)-5,6a,7,8,9,9a-hexahydrocyclopenta(4,5)imidazo(1,2-a)pyrazolo(4,3-e)pyrimidin-4-(2h)-one

    2. Iti-214

    2.3.2 Depositor-Supplied Synonyms

    1. Lenrispodun

    2. 1160521-50-5

    3. Iti-214

    4. Iti-214 Free Base

    5. Iti-214f

    6. Lenrispodun [usan]

    7. Iti-214 (free Base)

    8. 3gbo34d1be

    9. Ic200214

    10. Chembl3769414

    11. Ic-200214

    12. (11r,15s)-5-anilino-4-[[4-(6-fluoropyridin-2-yl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one

    13. Iti214 (free Base)

    14. (11r,15s)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one

    15. Cyclopent(4,5)imidazo(1,2-a)pyrazolo(4,3-e)pyrimidin-4(2h)-one, 2-((4-(6-fluoro-2-pyridinyl)phenyl)methyl)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylamino)-, (6ar,9as)-

    16. Pde1-in-1

    17. Lenrispodun [inn]

    18. Unii-3gbo34d1be

    19. Pde4 (r)-(-)-rolipram

    20. Schembl10201342

    21. Gtpl12003

    22. Bcp16186

    23. Bdbm50150119

    24. Who 11635

    25. Zinc142626599

    26. Compound 3 [pmid: 26789933]

    27. Cs-3621

    28. Db15039

    29. (6ar,9as)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylamino)-2-((4-(6-fluoropyridin-2-yl)phenyl)methyl)-cyclopent[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2h)-one

    30. (6ar,9as)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylamino)-2-((4-(6-fluoropyridin-2-yl)phenyl)methyl)cyclopent[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2h)-one

    31. Hy-12501

    32. Iti-214 Free Base;iti 214 Free Base

    33. J3.605.616i

    34. A858329

    35. Q27454893

    36. (6ar,9as)-2-((4-(6-fluoro-2-pyridinyl)phenyl)methyl)-5,6a,7,8,9,9ahexahydro- 5-methyl-3-(phenylamino)cyclopent(4,5)imidazo(1,2-a)pyrazolo(4,3- E)pyrimidin-4(2h)-one

    37. (6ar,9as)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylamino)-2-((4-(6-fluoropyridin-2-yl)phenyl)methyl)-cyclopent[4,5]imidazo-[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2h)-one

    2.4 Create Date
    2009-07-15
    3 Chemical and Physical Properties
    Molecular Weight 507.6 g/mol
    Molecular Formula C29H26FN7O
    XLogP35.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass507.21828664 g/mol
    Monoisotopic Mass507.21828664 g/mol
    Topological Polar Surface Area78.6 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity903
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY