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ITI-214

CAT: 0013-GTR19177210-06Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177210-06Size:25 mg
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Description
ITI-214 is a highly potent and selective picomolar inhibitor of PDE1 (Ki = 58 pM), demonstrating minimal off-target activity. This tool compound is valuable for investigating PDE1's role in neurological and cardiovascular research, with utility in both cellular assays and animal models.
CAS Number
1642303-38-5
Product Name Alternative
Cognitive, CNS-active, PDE, PDE1, oral, inhibit, ITI214, ITI-214, ITI 214, motor, Inhibitor, selective, phosphodiesterase, Phosphodiesterase (PDE)
Field of Research
Metabolism Research
Purity
98.21% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.3 mM) ; DMSO:30 mg/mL (49.54 mM)
Smiles
O=C (C1=C (NC2=CC=CC=C2) N (CC3=CC=C (C4=NC (F) =CC=C4) C=C3) N=C1N56) N (C) C5=N[C@@]7 ([H]) [C@]6 ([H]) CCC7.O=P (O) (O) O
Molecular Formula
C29H29FN7O5P
Molecular Weight
605.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lenrispodun Phosphate

See also: Lenrispodun (has active moiety).

CAS Number1642303-38-5
PubChem CID72704434
IUPAC Name(11R,15S)-5-anilino-4-[[4-(6-fluoro-2-pyridinyl)phenyl]methyl]-8-methyl-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one;phosphoric acid
Molecular FormulaC29H29FN7O5P
Molecular Weight605.6
Topological Polar Surface Area156
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count43
Formal Charge0
Complexity953
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.OP(=O)(O)O
InChI
InChI=1S/C29H26FN7O.H3O4P/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;1-5(2,3)4/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3;(H3,1,2,3,4)/t22-,23+;/m1./s1
InChIKey
ZPIAAFIYOPWWJL-RFPXDPOKSA-N
Chemical Structure
2D Structure
2D structure of Lenrispodun Phosphate
CAS: 1642303-38-5
CID: 72704434
Formula: C29H29FN7O5P
MW: 605.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass605.19518221
Monoisotopic Mass605.19518221
Topological Polar Surface Area156 Ų
Heavy Atom Count43
Formal Charge0
Complexity953
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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