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Home/Compounds/CAS 2170-58-3
Formula C19H24ClNO5MW 381.8Research-use catalog entryCOA/SDS by request

1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, hydrochloride (1:1)

CAS Number: 2170-58-3

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Loading RDKit molecule structure...
InChIKey: KAHMEWANVDFFCQ-UHFFFAOYSA-NC19H24ClNO5 | MW 381.8

Chemical Absolute Identifiers

CAS Number

2170-58-3

PubChem CID

11957505

Molecular Formula

C19H24ClNO5

Molecular Weight

381.8 g/mol

Exact Mass

381.134301

InChIKey

KAHMEWANVDFFCQ-UHFFFAOYSA-N

IUPAC Name

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride

SMILES String

COc1cccc(OC)c1OCCNCC1COc2ccccc2O1.Cl

Physical Properties

Water Solubility

57.3 mol/L

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, hydrochloride (1:1) (CAS 2170-58-3) is listed in the Advanced Chemicals portfolio, with molecular formula C19H24ClNO5 and molecular weight 381. 80 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Cytochrome P450 3A4 (Homo sapiens) — 2 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 3 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Cytochrome P450 3A4

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.5

Experimental evidence source: ChEMBL

Alpha-1A adrenergic receptor

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Protein deacetylase HDAC6

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Tyrosyl-DNA phosphodiesterase 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, hydrochloride (1:1)

Names & Synonyms

WB-4101 hydrochlorideWB4101 hydrochloride(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(2-(2,6-dimethoxyphenoxy)ethyl)ammonium chloride1,4-Benzodioxin-2-methanamine, N-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-, hydrochloride (1:1)WB 4101 hydrochloride
Show all synonyms
N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride2-(2,6-Dimethoxyphenoxyethyl)aminomethyl-1,4-benzodioxane hydrochloride2((2,6-DIMETHOXYPHENOXY-ETHYL)*AMINOMETHYL)-1,4-BENZ2-[(2,6-Dimethoxyphenoxyethyl)aminomethyl]-1,4-benzodioxane hydrochlorideN-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride( inverted exclamation markA)-WB 4101 (hydrochloride)(+/-)-WB 4101 (hydrochloride)2- (2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE HYDROCHLORIDE (WB 4101)N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanaminium chlorideNIOSH/DE8670000()-WB 4101 (hydrochloride)D 04111,4-Benzodiaxan-2-methylamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-, hydrochloride1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, HCl2-(((2-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl)-1,4-benzodioxan hydrochloride
External Identifiers
EC NUMBER: 218-520-3DSSTOX SUBSTANCE ID: DTXSID2042565CHEMBL ID: CHEMBL556001CHEBI ID: CHEBI:64094UNII: 44UX7VL6F7METABOLOMICS WORKBENCH ID: 63143
Literature & Patent References
DOI 10.1021/acs.jmedchem.4c00626Discovery of MT-1207: A Novel, Potent Multitarget Inhibitor as a Promising Clinical Candidate for the Treatment of Hypertension.PMID 38968440Discovery of MT-1207: A Novel, Potent Multitarget Inhibitor as a Promising Clinical Candidate for the Treatment of Hypertension.DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsDOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collectionDOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screenDOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effortDOI 10.1124/mol.112.084152Structure-based identification of OATP1B1/3 inhibitors.PMID 23571415Structure-based identification of OATP1B1/3 inhibitors.

Documentation & Compliance Facts

Compliance Facts

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Certificate of Analysis (COA): By request

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Purity and pack size confirmation: By request

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Text Reference Cues

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Non-public related references

2-Aminomethyl-1,4-benzodioxaneCAS 4442-59-5
(S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamineCAS 46049-49-4
(R)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamineCAS 46049-48-3
2-Bromomethyl-1,4-benzodioxane, (R)-CAS 1142953-55-6
(S)-2-Amino-N-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-methyl-butyramideCAS 1290211-41-4

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 4442-59-52-Aminomethyl-1,4-benzodioxaneCAS 46049-49-4(S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamineCAS 46049-48-3(R)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamineCAS 1142953-55-62-Bromomethyl-1,4-benzodioxane, (R)-CAS 1290211-41-4(S)-2-Amino-N-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-methyl-butyramideCAS 112574-44-4NitrofurazoneCAS 131-53-32,2'-Dihydroxy-4-methoxybenzophenoneCAS 13710-19-5Tolfenamic AcidCAS 102146-07-6DpcpxCAS 104227-87-4Famciclovir

RFQ questions for CAS 2170-58-3

What are the key identifiers for 1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, hydrochloride (1:1) (CAS 2170-58-3)?

1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, hydrochloride (1:1) is identified by CAS 2170-58-3, with molecular formula C19H24ClNO5, molecular weight 381.8, InChIKey KAHMEWANVDFFCQ-UHFFFAOYSA-N.

Does CAS 2170-58-3 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 3A4, Alpha-1A adrenergic receptor, Protein deacetylase HDAC6, Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 2170-58-3?

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Can I request supplier SDS for 1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, hydrochloride (1:1)?

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