S1RA - Moligand™, ≥98% , Antagonist of sigma non-opioid intracellular receptor 1, CAS No.878141-96-9, Antagonist of sigma non-opioid intracellular receptor 1

CAS: 878141-96-9 Cat. No.: S413619 Molecular Weight: 337.42 PubChem CID: 44247568

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S1RA - Moligand™, ≥98% CAS No(878141-96-9) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

4-(2-{[5-METHYL-1-(NAPHTHALEN-2-YL)PYRAZOL-3-YL]OXY}ETHYL)MORPHOLINE | 4-(2-(5-Methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yloxy) ethyl) morpholine | E52862 | E-52862 | 4-(2-{[5-methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yl]oxy}ethyl)morpholine | DIBUTYL SEBACAT

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Size

Status

Price

Qty

5mg

S413619-5mg

$43.90

$65.90
Save $22.00 (33.38%)

10mg

S413619-10mg

$77.90

$116.90
Save $39.00 (33.36%)

25mg

S413619-25mg

8-12 wks(?)

$169.90

$254.90
Save $85.00 (33.35%)

50mg

S413619-50mg

8-12 wks(?)

$287.90

$431.90
Save $144.00 (33.34%)

100mg

S413619-100mg

8-12 wks(?)

$487.90

$731.90
Save $244.00 (33.34%)

250mg

S413619-250mg

8-12 wks(?)

$1,067.90

$1,601.90
Save $534.00 (33.34%)

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Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

S1RA (E-52862) is a selective sigma-1 receptor (σ1R) antagonist with a reported binding affinity of Ki = 17.0 ± 7.0 nM for human σ1 receptor , selective over the sigma-2 receptor and against a panel of other 170 receptors, enzymes, transporters and ion ch

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of sigma non-opioid intracellular receptor 1

Purity

≥98%

Product Properties

ALogP	3.459
Rotatable Bond	5

Names and Identifiers

Pubchem Sid	504770330
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770330
Canonical Smiles	CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4
IUPAC Name	4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
InChIKey	DGPGXHRHNRYVDH-UHFFFAOYSA-N
INCHI	1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
Isomeric SMILES	CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4
PubChem CID	44247568
Molecular Weight	337.42

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	Alkyl aryl ethers Morpholines Pyrazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthalene - Alkyl aryl ether - Morpholine - Oxazinane - Azole - Heteroaromatic compound - Pyrazole - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (12 Activities)

Discover Target: SIGMAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

OPRM1 Tclin Mu opioid receptor (19785 Activities)

Discover Target: OPRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

Discover Target: HTR2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)

Discover Target: CYP2C8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)

Discover Target: CYP2E1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Caco-2 (12174 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Sigmar1 Sigma opioid receptor (160 Activities)

Discover Target: Sigmar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rodentia sp. (39 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SIGMAR1 Sigma-1 receptor (3326 Activities)

Discover Target: SIGMAR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsome (341 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Tmem97 Sigma intracellular receptor 2 (922 Activities)

Discover Target: Tmem97

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
C2625090	Certificate of Analysis	Apr 07, 2026	S413619
C2306179	Certificate of Analysis	Dec 12, 2025	S413619
C2306182	Certificate of Analysis	Dec 12, 2025	S413619
C2306183	Certificate of Analysis	Dec 12, 2025	S413619
C2306186	Certificate of Analysis	Dec 12, 2025	S413619
C2306188	Certificate of Analysis	Dec 12, 2025	S413619
C2306184	Certificate of Analysis	Nov 07, 2022	S413619

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 67 mg/mL (198.56 mM); Water: 67 mg/mL (198.56 mM); Ethanol: 19 mg/mL (56.3 mM);
DMSO(mg / mL) Max Solubility	67
DMSO(mM) Max Solubility	198.565585916662
Water(mg / mL) Max Solubility	67
Water(mM) Max Solubility	198.565585916662
Molecular Weight	337.400 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	337.179 Da
Monoisotopic Mass	337.179 Da
Topological Polar Surface Area	39.500 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	416.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

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Reconstitution Calculator

Reviews

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Related Products

S1RA - Moligand™, 10mM in DMSO , Antagonist of sigma non-opioid intracellular receptor 1, CAS No.878141-96-9

S1RA - Moligand™, ≥98% , Antagonist of sigma non-opioid intracellular receptor 1, CAS No.878141-96-9, Antagonist of sigma non-opioid intracellular receptor 1

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

Need help choosing the grade?

View related series

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