Paliperidone palmitate

CAT: 0804-HY-A0019A-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-A0019A-01Size:10 mg

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Description

Paliperidone palmitate is an orally effective competitive antagonist of dopamine D2 receptors and 5-hydroxytryptamine 2A (5-HT2A) receptors that can cross the blood-brain barrier. Paliperidone palmitate competitively inhibits the effects of dopamine and 5-hydroxytryptamine by binding to dopamine D2 receptors and 5-HT2A receptors, regulating the balance of the neurotransmitter system and thus exerting antipsychotic activity. Paliperidone palmitate is mainly used in the research field of schizophrenia[1][2][3].

CAS Number

199739-10-1

Product Name Alternative

9-Hydroxyrisperidone palmitate

UNSPSC

12352005

Hazard Statement

H301

Target

5-HT Receptor; Dopamine Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Applications

Neuroscience-Neuromodulation

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/paliperidone-palmitate.html

Purity

99.93

Solubility

Ethanol : 2 mg/mL (ultrasonic)

Smiles

O=C(OC1CCCN(C1=NC(C)=C2CCN3CCC(C4=NOC5=C4C=CC(F)=C5)CC3)C2=O)CCCCCCCCCCCCCCC

Molecular Formula

C39H57FN4O4

Molecular Weight

664.89

Precautions

H301

References & Citations

[1]Darville N, et al. The effect of macrophage and angiogenesis inhibition on the drug release and absorption from an intramuscular sustained-release paliperidone palmitate suspension. J Control Release. 2016 May 28;230:95-108.|[2]Pertinez H, et al. Hyaluronidase impacts exposures of long-acting injectable paliperidone palmitate in rodent models. bioRxiv [Preprint]. 2024 Mar 6:2024.03.03.583160.|[3]Kwon JS, et al. Satisfaction of immediate or delayed switch to paliperidone palmitate in patients unsatisfied with current oral atypical antipsychotics. Int Clin Psychopharmacol. 2015;30 (6) :320-328.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture and light)

Scientific Category

Reference compound1

Clinical Information

Launched

Isoform

5-HT2 Receptor; D2 Receptor; α-1 microglobulin

Chemical Information

Paliperidone Palmitate

3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate is a fatty acid ester obtained by the formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one. It is a fatty acid ester, an organofluorine compound, a pyridopyrimidine, a heteroarylpiperidine and a member of 1,2-benzoxazoles.

CAS Number	199739-10-1
PubChem CID	9852746
IUPAC Name	[3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl] hexadecanoate
Molecular Formula	C39H57FN4O4
Molecular Weight	664.9
XLogP	10.1
Topological Polar Surface Area	88.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	20
Heavy Atom Count	48
Formal Charge	0
Complexity	1090

SMILES

CCCCCCCCCCCCCCCC(=O)OC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C

InChI

InChI=1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3

InChIKey

VOMKSBFLAZZBOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 199739-10-1

CID: 9852746

Formula: C39H57FN4O4

MW: 664.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	664.9
XLogP3	10.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	20
Exact Mass	664.43638447
Monoisotopic Mass	664.43638447
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	1090
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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