ITI-214 phosphate salt | CAS#1642303-38-5 | 1160521-50-5 | PDE1 inhibitor

ITI-214 phosphate
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 522622

CAS#: 1642303-38-5 (phosphate)

Description: 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

CAS# 1642303-38-5 (phosphate)

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 522622
Name: ITI-214 phosphate
CAS#: 1642303-38-5 (phosphate)
Chemical Formula: C29H29FN7O5P
Exact Mass: 0.00
Molecular Weight: 605.567
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
5mg	USD 190	Ready to ship
10mg	USD 350	Ready to ship
25mg	USD 650	Ready to ship
50mg	USD 950	Ready to ship
100mg	USD 1650	Ready to ship
200mg	USD 2250	Ready to ship
500mg	USD 3250	Ready to ship
1g	USD 4850	Ready to ship
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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).

Product Data:

Product Data

Certificate of Analysis:

View CoA: current batch, Lot#S9S05C01

QC Data:

View QC data: current batch, Lot#S9S05C01

Safety Data Sheet (SDS):

View Safety Data Sheet (SDS)

Instruction:

View handling instruction

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/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	30.0	49.54

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.

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.

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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.

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ITI-214 phosphate featured