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Anpirtoline hydrochloride - 99%, high purity , CAS No.98330-05-3

1 Citations

COA

Grade & Purity:

≥99%

Cas Number: 98330-05-3
Molecular Weight: 265.2
PubChem CID: 65854

In stock

Item Number

A336026

Grouped product items
SKU	Size	Availability	Price	Qty
A336026-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$113.90
A336026-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$430.90

a SR-1B agonist

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Class A GPCR (4138)

Basic Description

Synonyms	Tox21_110922 \| 2-chloro-6-(piperidin-4-ylsulfanyl)pyridine \| Anpirtolina \| BRD-K55424922-001-01-4 \| CHEBI:92968 \| NCGC00024740-04 \| UNII-32K9S228IK \| DTXCID5025659 \| PYRIDINE,2-CHLORO-6-(4-PIPERIDINYLTHIO)- \| CAS-98330-05-3 \| PDSP2_001381 \| SCHEMBL398427
Specifications & Purity	≥99%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Anpirtoline hydrochloride is a selective agonist of SR-1B. Anpirtoline shows strong selectivity at SR-1B (K\|i\|= 28 nM) over the SR-1A (K\|i\|= 150 nM) and SR-2 (K\|i\|= 1.49 μM) serotonin receptor subtypes. Anpirtoline is also described to produce antagonism at the SR-3 (K\|i\|= 29.5 nM).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Aryl thioethers
Alternative Parents	Alkylarylthioethers 2-halopyridines Piperidines Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl thioether - 2-halopyridine - Alkylarylthioether - Aryl chloride - Aryl halide - Piperidine - Pyridine - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Sulfenyl compound - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
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

Product Properties

Ki Data	5-HT1B receptor: Ki= 28 nM; 5-HT1A receptor: Ki= 150 nM; 5-HT2 receptor: Ki= 1490 nM; 5-HT3 receptor: Ki= 29.5 nM

Associated Targets(Human)

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)

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plasmodium falciparum (966862 Activities)

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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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-chloro-6-piperidin-4-ylsulfanylpyridine
INCHI	InChI=1S/C10H13ClN2S/c11-9-2-1-3-10(13-9)14-8-4-6-12-7-5-8/h1-3,8,12H,4-7H2
InChIKey	GGALEXMXDMUMDM-UHFFFAOYSA-N
Smiles	C1CNCCC1SC2=NC(=CC=C2)Cl
Isomeric SMILES	C1CNCCC1SC2=NC(=CC=C2)Cl
Molecular Weight	265.2
Reaxy-Rn	8203981
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8203981&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in water (25 mg/ml), and DMSO (100 mM).
Boil Point(°C)	364.1° C at 760 mmHg (Predicted)
Melt Point(°C)	126-128° C
Molecular Weight	228.740 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	228.049 Da
Monoisotopic Mass	228.049 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174.000
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

Citations of This Product

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