S1RA hydrochloride - ≥99% , CAS No.1265917-14-3

CAS: 1265917-14-3 Cat. No.: S646287 Formula: C20H24ClN3O2 Peso molecolare: 373.9 Numero EC: 931-042-6 PubChem CID: 50914801
Disponibile su ordine
GRADE & PURITY ≥99%
Synonyms
A903622 | 4-tert.Butylcalix[4]arene | E-52862 hydrochloride | UNII-18XZ7850YN | E-52862 HCl | S1RA (hydrochloride) | BS177543 | HY-18099A | 18XZ7850YN | 4-(2-(5-methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yloxy)ethyl)morpholine hydrochloride | SB17182 | BCP24
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
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Size
Germania (EU)
USA*
Price
Qty
5mg
S646287-5mg
Su ordinazione · 8–12 settimane

23,34€

35,49€
Salva 12,15 € (34.23%)
10mg
S646287-10mg
Su ordinazione · 8–12 settimane

42,43€

64,13€
Salva 21,69 € (33.83%)
25mg
S646287-25mg
Su ordinazione · 8–12 settimane

91,03€

137,02€
Salva 45,99 € (33.57%)
50mg
S646287-50mg
Su ordinazione · 8–12 settimane

138,75€

208,17€
Salva 69,42 € (33.35%)
100mg
S646287-100mg
Su ordinazione · 8–12 settimane

229,86€

345,27€
Salva 115,41 € (33.43%)
250mg
S646287-250mg
Su ordinazione · 8–12 settimane

393,87€

590,84€
Salva 196,98 € (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice 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.

Panoramica

S1RA (E-52862) hydrochloride is an orally active and selective sigma-1 receptor ( σ1R ) antagonist with a K i value of 17 nM. S1RA hydrochloride shows good selectivity against σ2R (K i >1000 nM). S1RA hydrochloride is a human 5-HT2B receptor antagonist with an IC 50 value of 4.7 μM. S1RA hydrochloride inhibits neuropathic pain and activity-induced spinal sensitization

In Vitro

S1RA hydrochloride (0.1-10000 nM) shows high affinity to human and guinea pig σ1Rs with K i values of 17 and 23.5 nM, respectively. S1RA hydrochloride (0.1-10000 nM) shows affinity to human σ2R with K i values of 9.3 μM. S1RA hydrochloride shows affinity to human 5-HT2B receptor with a K i value of 328 nM and an IC 50 value of 4.7 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

S1RA hydrochloride (i.p. 16-80 mg/kg or oral administration 32-128 mg/kg; once) dose-dependently inhibits formalin-induced nociception, capsaicin-induced mechanical hypersensitivity and sciatic nerve injury-induced mechanical and thermal hypersensitivity of mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male CD1 mice Dosage: 32, 64, 128 and 160 mg/kg Administration: Intraperitoneal injection; 32, 64, 128 and 160 mg/kg, once Result: Reduced the permanence time on the rotating rod in rotarod test. Animal Model: Male CD1 mice with formalin-evoked nociception Dosage: 20, 40 and 80 mg/kg Administration: Intraperitoneal injection; 20, 40 and 80 mg/kg, once Result: Dose-dependently showed analgesic effect on of formalin-evoked nociceptive behaviours of mice. Animal Model: Male CD1 mice with capsaicin-induced mechanical hypersensitivity Dosage: 16, 32 and 64 mg/kg (i.p.); 32, 64 and 128 mg/kg (oral administration) Administration: Intraperitoneal injection or oral administration; 16, 32 and 64 mg/kg (i.p.); 32, 64 and 128 mg/kg (oral administration), once Result: Dose-dependently reversed capsaicin-induced mechanical hypersensitivity in mice.

Form:Solid

IC50& Target:Sigma 1 Receptor

Specifications

Sinonimi
A903622 | 4-tert.Butylcalix[4]arene | E-52862 hydrochloride | UNII-18XZ7850YN | E-52862 HCl | S1RA (hydrochloride) | BS177543 | HY-18099A | 18XZ7850YN | 4-(2-(5-methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yloxy)ethyl)morpholine hydrochloride | SB17182 | BCP24
Specifiche e purezza
≥99%
Meccanismi biochimici e fisiologici
S1RA (E-52862) hydrochloride is an orally active and selective sigma-1 receptor ( σ1R ) antagonist with a K i value of 17 nM. S1RA hydrochloride shows good selectivity against σ2R (K i >1000 nM). S1RA hydrochloride is a human 5-HT2B receptor antagonist wi
Condizioni di conservazione di stoccaggio
Store at 2-8°C,Desiccated
Spedito in
Wet ice
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Purezza
≥99%
Nomi e identificatori
Sorrisi canonici
CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4.Cl
IUPAC Name
4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine;hydrochloride
InChIKey
SHRYQZBTQDMGLZ-UHFFFAOYSA-N
INCHI
1S/C20H23N3O2.ClH/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;1H
Isomeri SMILES
CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4.Cl
CAS alternativo
1265917-14-3
PubChem CID
50914801
Peso molecolare
373.9

Documentazione

📋 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

KingdomOrganic compounds
SuperclassBenzenoids
ClasseNaphthalenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentNaphthalenes
Alternative Parents Alkyl aryl ethers  Morpholines  Heteroaromatic compounds  Azoles  Trialkylamines  Oxacyclic compounds  Hydrazones  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Hydrochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Naphthalene - Alkyl aryl ether - Oxazinane - Morpholine - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrazone - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
SolubilitàDMSO : 100 mg/mL (267.47 mM; Need ultrasonic) H2O : 16.67 mg/mL (44.59 mM; Need ultrasonic)
Peso molecolare373.900 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass373.156 Da
Monoisotopic Mass373.156 Da
Topological Polar Surface Area39.500 Ų
Heavy Atom Count26
Formal Charge0
Complexity416.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Calcolatori di soluzioni
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