ROLUPERIDONE HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H23FN2O2.ClH.2H2O
Molecular Weight	438.92
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.Cl.FC1=CC=C(C=C1)C(=O)CN2CCC(CN3CC4=C(C=CC=C4)C3=O)CC2

InChI

InChIKey=NZKANSJXJCILHS-UHFFFAOYSA-N

InChI=1S/C22H23FN2O2.ClH.2H2O/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27;;;/h1-8,16H,9-15H2;1H;2*1H2

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C22H23FN2O2
Molecular Weight	366.4286
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28750582 | http://ir.minervaneurosciences.com/static-files/19517df4-baea-42ac-9b95-8459f26ececb

CYR-101 (MIN-101) is a cyclic amide derivative that has high equipotent affinities for 5-HT2A and sigma-2 receptors (Ki of 7.53 nM and 8.19 nM for 5-HT2A and sigma-2, respectively). MIN-101 also shows binding affinity for a1-adrenergic receptors but low or no affinity for muscarinic, cholinergic, and histaminergic receptors. MIN-101 demonstrated statistically significant efficacy in reducing negative symptoms and good tolerability in stable schizophrenia patients. The drug is in phase II clinical trials for the treatment of Schizophrenia.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serotonin 2a (5-HT2a) receptor 231 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28750582	Antagonist 2778		7.53 nM [Ki]
Transmembrane protein 97 11 Target ID: Q5BJF2 Gene ID: 27346.0 Gene Symbol: TMEM97 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/28750582	Antagonist 2778		8.19 nM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Schizophrenia 298 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28750582	Primary		Phase II 1132	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P00CJWT	https://www.1pchem.com/search?query=1P00CJWT
AChemBlock	L22318	http://www.achemblock.com/catalogsearch/result/?q=L22318
AstaTech	41571	http://astatechinc.com/CPSResult.php?CRNO=41571
Chem Scene	CS-6971	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-6971
Excenen	EX-A3145	http://www.excenen.com/searchresultlist.php?id=EX-A3145
KeyOrganics	AS-35144	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-35144
Lab Network	LN03246569	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN03246569
MedChem Express	HY-19469	https://www.medchemexpress.com/search.html?q=HY-19469&ft=&fa=&fp=
MolPort	MolPort-044-723-849	https://www.molport.com/shop/molecule-link/MolPort-044-723-849
Molnova	M14236	https://www.molnova.com/en/serch-list.html?keywords=M14236
MuseChem	I006343	https://www.musechem.com/product/I006343.html
eMolecules	89945241	https://orderbb.emolecules.com/search/#?query=89945241
mcule	MCULE-5318831156	https://mcule.com/MCULE-5318831156/

PubMed

Title	Date	PubMed
Efficacy and Safety of MIN-101: A 12-Week Randomized, Double-Blind, Placebo-Controlled Trial of a New Drug in Development for the Treatment of Negative Symptoms in Schizophrenia.	2017 Dec 1	28750582

Patents

Sample Use Guides

In Vivo Use Guide

After at least 5 days' withdrawal from all antipsychotic medication, Schizophrenia patients were randomly assigned to receive 32 mg/day or 64 mg/day of oral CYR-101 (MIN-101) for 12 weeks.

Route of Administration: Oral

In Vitro Use Guide

CYR-101 (MIN-101) has high equipotent affinities for 5-HT2A and sigma-2 receptors (Ki of 7.53 nM and 8.19 nM for 5-HT2A and sigma-2, respectively).

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:30:15 GMT 2023` Edited by `admin` on `Fri Dec 15 15:30:15 GMT 2023`
Record UNII	WFL7TF8DTP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROLUPERIDONE HYDROCHLORIDE

Official Name

English

1H-ISOINDOL-1-ONE, 2-((1-(2-(4-FLUOROPHENYL)-2-OXOETHYL)-4-PIPERIDINYL)METHYL)-2,3-DIHYDRO-, HYDROCHLORIDE, HYDRATE (1:1:2)

Systematic Name

English

2-({1-[2-(4-Fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one monohydrochloride dihydrate

Systematic Name

English

ROLUPERIDONE HYDROCHLORIDE [USAN]

Common Name

English

CYR-101 HYDROCHLORIDE DIHYDRATE

Code

English

MT-210

Code

English

MIN-101

Code

English

Code System Code Type Description

DRUG BANK

DBSALT002798