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MedKoo Cat#: 522622 | Name: ITI-214 phosphate
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

ITI-214 is an orally active, potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases. ITI-214 exhibited picomolar inhibitory potency for PDE1, demonstrated excellent selectivity against all other PDE families, and showed good efficacy in vivo. Currently, this investigational new drug is in Phase I clinical development and being considered for the treatment of several indications including cognitive deficits associated with schizophrenia and Alzheimer's disease, movement disorders, attention deficit and hyperactivity disorders, and other CNS and non-CNS disorders.

Chemical Structure

ITI-214 phosphate
ITI-214 phosphate
CAS#1642303-38-5 (phosphate)

Theoretical Analysis

MedKoo Cat#: 522622

Name: ITI-214 phosphate

CAS#: 1642303-38-5 (phosphate)

Chemical Formula: C29H29FN7O5P

Exact Mass: 0.0000

Molecular Weight: 605.57

Elemental Analysis: C, 57.52; H, 4.83; F, 3.14; N, 16.19; O, 13.21; P, 5.11

Price and Availability

Size Price Availability Quantity
5mg USD 190.00 Ready to ship
10mg USD 350.00 Ready to ship
25mg USD 650.00 Ready to ship
50mg USD 950.00 Ready to ship
100mg USD 1,650.00 Ready to ship
200mg USD 2,250.00 Ready to ship
500mg USD 3,250.00 Ready to ship
1g USD 4,850.00 Ready to ship
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Related CAS #
1642303-38-5 (phosphate) 1160521-50-5 (free base)
Synonym
ITI-214; ITI 214; ITI214; ITI-214 phosphate salt; Lenrispodun phosphate
IUPAC/Chemical Name
(6aR,9aS)-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 phosphate
InChi Key
ZPIAAFIYOPWWJL-RFPXDPOKSA-N
InChi Code
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
SMILES Code
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
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
related CAS# 1642303-38-5 ( ITI-214 phosphate); 1160521-50-5 ( ITI-214 free base).
Biological target:
ITI-214 is a PDE1 inhibitor with Ki of 58 pM.
In vitro activity:
ITI-214 was found to potently inhibit the activity of full-length recombinant r-hPDE1A (Ki = 34 pM), r-hPDE1B (Ki = 380 pM), and r-hPDE1C (Ki = 37 pM) enzymes transiently expressed in HEK cells. The compound expressed >1000-fold greater activity toward PDE1 isoforms compared with the next nearest PDE family enzyme, PDE4D (Ki = 33 nM) and 10,000–300,000-fold selectivity toward all other PDE enzyme families (Table 1). Reference: Psychopharmacology (Berl). 2016 Sep;233(17):3113-24. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4980415/
In vivo activity:
To evaluate drug effects on the early consolidation of memory, ITI-214 was administered orally to groups of rats at a range of doses (1–10 mg/kg) shortly after the completion of the T1 period. ITI-214 administration resulted in an intermediate increase in d2, i.e., different from chance level, in animals that had received a 3 mg/kg dose within 4 min after T1 (Fig. 2, top panel). In this case, the d2 did not differ from vehicle (F(3,92) = 1.88, n.s.). Drug effects on the late phase of memory consolidation were studied by administering ITI-214 (0.1–3 mg/kg) 3 h after the T1 period. Twenty-one hours later, during T2, animals that had been treated with doses of 1 or 3 mg/kg ITI-214 displayed increases in d2 scores compared with chance performance and significantly different from vehicle (F(4,67) = 4.18, p < 0.01) with a full effective dose of 1 mg/kg. The results indicate that ITI-214 improved late consolidation of memory (Fig. 2). Reference: Psychopharmacology (Berl). 2016 Sep;233(17):3113-24. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4980415/
Solvent mg/mL mM
Solubility
DMSO 30.0 49.54
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 605.57 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Snyder GL, Prickaerts J, Wadenberg ML, Zhang L, Zheng H, Yao W, Akkerman S, Zhu H, Hendrick JP, Vanover KE, Davis R, Li P, Mates S, Wennogle LP. Preclinical profile of ITI-214, an inhibitor of phosphodiesterase 1, for enhancement of memory performance in rats. Psychopharmacology (Berl). 2016 Sep;233(17):3113-24. doi: 10.1007/s00213-016-4346-2. Epub 2016 Jun 24. PMID: 27342643; PMCID: PMC4980415. 2. Golshiri K, Ataei Ataabadi E, Rubio-Beltran E, Dutheil S, Yao W, Snyder GL, Davis RE, van der Pluijm I, Brandt R, van den Berg-Garrelds IM, MaassenVanDenBrink A, de Vries R, Danser AHJ, Roks AJM. Selective PDE1 inhibition ameliorates vascular function, reduces inflammatory response, and lowers blood pressure in ageing animals. J Pharmacol Exp Ther. 2021 Jun 7:JPET-AR-2021-000628. doi: 10.1124/jpet.121.000628. Epub ahead of print. PMID: 34099502.
In vitro protocol:
1. Snyder GL, Prickaerts J, Wadenberg ML, Zhang L, Zheng H, Yao W, Akkerman S, Zhu H, Hendrick JP, Vanover KE, Davis R, Li P, Mates S, Wennogle LP. Preclinical profile of ITI-214, an inhibitor of phosphodiesterase 1, for enhancement of memory performance in rats. Psychopharmacology (Berl). 2016 Sep;233(17):3113-24. doi: 10.1007/s00213-016-4346-2. Epub 2016 Jun 24. PMID: 27342643; PMCID: PMC4980415.
In vivo protocol:
1. Snyder GL, Prickaerts J, Wadenberg ML, Zhang L, Zheng H, Yao W, Akkerman S, Zhu H, Hendrick JP, Vanover KE, Davis R, Li P, Mates S, Wennogle LP. Preclinical profile of ITI-214, an inhibitor of phosphodiesterase 1, for enhancement of memory performance in rats. Psychopharmacology (Berl). 2016 Sep;233(17):3113-24. doi: 10.1007/s00213-016-4346-2. Epub 2016 Jun 24. PMID: 27342643; PMCID: PMC4980415. 2. Golshiri K, Ataei Ataabadi E, Rubio-Beltran E, Dutheil S, Yao W, Snyder GL, Davis RE, van der Pluijm I, Brandt R, van den Berg-Garrelds IM, MaassenVanDenBrink A, de Vries R, Danser AHJ, Roks AJM. Selective PDE1 inhibition ameliorates vascular function, reduces inflammatory response, and lowers blood pressure in ageing animals. J Pharmacol Exp Ther. 2021 Jun 7:JPET-AR-2021-000628. doi: 10.1124/jpet.121.000628. Epub ahead of print. PMID: 34099502.
1: Li P, Zheng H, Zhao J, Zhang L, Yao W, Zhu H, Beard JD, Ida K, Lane W, Snell G, Sogabe S, Heyser CJ, Snyder GL, Hendrick JP, Vanover KE, Davis RE, Wennogle LP. Discovery of Potent and Selective Inhibitors of Phosphodiesterase 1 for the Treatment of Cognitive Impairment Associated with Neurodegenerative and Neuropsychiatric Diseases. J Med Chem. 2016 Jan 20. [Epub ahead of print] PubMed PMID: 26789933.