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Siramesine hydrochloride - 98%, high purity , CAS No.224177-60-0

COA

Grade & Purity:

≥98%

Cas Number: 224177-60-0
Molecular Weight: 491.04
MDL number: MFCD28144522
PubChem CID: 9891778
PubChem SID: 488196403

In stock

Item Number

S288444

Grouped product items
SKU	Size	Availability	Price
S288444-5mg	5mg	4	$137.90
S288444-25mg	25mg	5	$444.90
S288444-100mg	100mg	2	$1,167.90

High affinity σ agonist (σ2> σ1)

View related series

Apoptosis (4276) Ferroptosis (356) Neuronal Signaling (3320) Pharmaceutical ingredients (367) Sigma Receptor (61)

Basic Description

Synonyms	Lu 28-179;Lu-28-179;Lu 28-179 hydrochloride \| 1'-(4-(1-(4-Fluorophenyl)-1H-indol-3-yl)butyl)-3H-spiro[isobenzofuran-1,4'-piperidine]hydrochloride \| UNII-39CG1EG1SS \| I1090 \| Lu 28-179 hydrochloride \| AKOS026750245 \| FS-2246 \| Siramesine-hydrochloride \| 1/
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	High affinity σ receptor agonist (Kivalues are 0.19 and 17 nM for σ2and σ1receptors, respectively). Displays anxiolytic and antidepressant effects in rodents. Also induces cell death in tumor cell lines.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Siramesine (Lu 28-179) hydrochloride is a potent sigma-2 receptor agonist. Siramesine hydrochloride has a subnanomolar affinity for sigma-2 receptors (IC50=0.12 nM) and exhibits a 140-fold selectivity for sigma-2 receptors over sigma-1 receptors (IC50=17 nM). Siramesine hydrochloride triggers cell death through destabilisation of mitochondria, but not lysosomes. Anti-cancer activity.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrroles
Alternative Parents	3-alkylindoles Isocoumarans Isobenzofurans Fluorobenzenes Aralkylamines Piperidines Aryl fluorides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-phenylpyrrole - 3-alkylindole - Indole - Indole or derivatives - Isocoumaran - Isobenzofuran - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Benzenoid - Piperidine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic nitrogen compound - Amine - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
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

Names and Identifiers

Pubchem Sid	488196403
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196403
IUPAC Name	1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine];hydrochloride
INCHI	InChI=1S/C30H31FN2O.ClH/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30;/h1-4,8-15,21H,5-7,16-20,22H2;1H
InChIKey	ILSRGIFRZZSGPN-UHFFFAOYSA-N
Smiles	C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)F.Cl
Isomeric SMILES	C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)F.Cl
PubChem CID	9891778
Molecular Weight	491.04

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
C2507156	Certificate of Analysis	Feb 08, 2023	S288444
C2315915	Certificate of Analysis	Feb 08, 2023	S288444
C2315917	Certificate of Analysis	Feb 08, 2023	S288444
C2315919	Certificate of Analysis	Feb 08, 2023	S288444
C2315920	Certificate of Analysis	Feb 08, 2023	S288444
C2315916	Certificate of Analysis	Feb 08, 2023	S288444
C2315918	Certificate of Analysis	Feb 08, 2023	S288444

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 24.55, Max Conc. mM: 50
Sensitivity	Heat Sensitive;Moisture sensitive
Melt Point(°C)	225 °C
Molecular Weight	491.000 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	490.219 Da
Monoisotopic Mass	490.219 Da
Topological Polar Surface Area	17.400 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	656.000
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	2

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