ZD2079 hydrochloride - ≥98% , CAS No.178600-17-4

CAS: 178600-17-4 Cat. No.: Z287109 Molecular Weight: 351.83 EC Number: 685-384-3 PubChem CID: 158793
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
HMS3413I07 | ICID2079 | ICID-2079 | Talibegron HCl | 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid;hydrochloride | BENZENEACETIC ACID, 4-(2-(((2R)-2-HYDROXY-2-PHENYLETHYL)AMINO)ETHOXY), HYDROCHLORIDE | DTXCID9028968 | Tox21_113587
Storage
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
Z287109-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$239.90
10mg
Z287109-10mg
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$383.90
25mg
Z287109-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$815.90
50mg
Z287109-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,387.90
100mg
Z287109-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,359.90
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
HMS3413I07 | ICID2079 | ICID-2079 | Talibegron HCl | 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid;hydrochloride | BENZENEACETIC ACID, 4-(2-(((2R)-2-HYDROXY-2-PHENYLETHYL)AMINO)ETHOXY), HYDROCHLORIDE | DTXCID9028968 | Tox21_113587
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
β3-adrenoceptor agonist. Relaxes rat mesenteric artery and isolated aortain vitro. Inhibits ob gene expression and circulating leptin levels in lean micein vivo.
Storage
Store at -20°C, Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C(CNCCOC2=CC=C(C=C2)CC(=O)O)O.Cl
IUPAC Name2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid;hydrochloride
InChIKeyKCEFVYIWOQSJCH-LMOVPXPDSA-N
INCHI1S/C18H21NO4.ClH/c20-17(15-4-2-1-3-5-15)13-19-10-11-23-16-8-6-14(7-9-16)12-18(21)22;/h1-9,17,19-20H,10-13H2,(H,21,22);1H/t17-;/m0./s1
Isomeric SMILES C1=CC=C(C=C1)[C@H](CNCCOC2=CC=C(C=C2)CC(=O)O)O.Cl
PubChem CID 158793
Molecular Weight 351.83

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

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenol ethers
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol ethers
Alternative Parents Phenoxy compounds  Aralkylamines  Alkyl aryl ethers  Secondary alcohols  Amino acids  1,2-aminoalcohols  Monocarboxylic acids and derivatives  Dialkylamines  Carboxylic acids  Organopnictogen compounds  Organic oxides  Hydrochlorides  Hydrocarbon derivatives  Carbonyl compounds  Aromatic alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrochloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySolvent:water, Max Conc. mg/mL: 8.8, Max Conc. mM: 25
Molecular Weight351.800 g/mol
XLogP3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass351.124 Da
Monoisotopic Mass351.124 Da
Topological Polar Surface Area78.800 Ų
Heavy Atom Count24
Formal Charge0
Complexity336.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
Reviews

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