(±)-Octopamine hydrochloride - Moligand™, ≥98% , Agonist of TA 1 receptor, CAS No.770-05-8, Agonist of TA 1 receptor

CAS: 770-05-8 Cat. No.: O101521 Molecular Weight: 189.64 Beilstein Registry Number: 3915414 EC Number: 212-216-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-(2-amino-1-hydroxyethyl)phenol;hydrochloride | Octopamine hydrochloride (JAN) | (+,-)-Octopamine HCl | Q27256709 | SCHEMBL1168914 | Opera_ID_1905 | alpha-(Aminomethyl)-4-hydroxybenzenemethanol hydrochloride (1:1) | (+/-)-Octopamine hydrochloride, analyt

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

4-(2-amino-1-hydroxyethyl)phenol;hydrochloride | Octopamine hydrochloride (JAN) | (+, -)-Octopamine HCl | Q27256709 | SCHEMBL1168914 | Opera_ID_1905 | alpha-(Aminomethyl)-4-hydroxybenzenemethanol hydrochloride (1:1) | (+/-)-Octopamine hydrochloride, analyt

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Full β 3 agonist. Structurally and functionally homologous to norepinephrine. Neurotransmitter in invertebrates. Dual action on glucose transport in vitro ; stimulates lipolysis via β 3 receptor activation or stimulates uptake following oxidation by MAO.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of TA 1 receptor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756522
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756522
• Canonical Smiles: C1=CC(=CC=C1C(CN)O)O.Cl
• IUPAC Name: 4-(2-amino-1-hydroxyethyl)phenol;hydrochloride
• InChIKey: PUMZXCBVHLCWQG-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2.ClH/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-4,8,10-11H,5,9H2;1H
• Isomeric SMILES: C1=CC(=CC=C1C(CN)O)O.Cl
• WGK Germany: 3
• Molecular Weight: 189.64
• Beilstein: 3915414
• Reaxy-Rn: 3915414
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3915414&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Organopnictogen compounds Organic zwitterions Organic chloride salts Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Organic nitrogen compound - Organic chloride salt - Hydrocarbon derivative - Organic salt - Organic zwitterion - Aromatic alcohol - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• External Descriptors: Not available

Data sources

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

Associated Targets(Human)

TAAR1 Tclin Trace amine-associated receptor 1 (1 Activities)

Discover Target: TAAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (0 Activities)

Discover Target: HTR3A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

U2OS (164939 Activities)

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

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

Discover Target: APEX1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

HEK-293T (167025 Activities)

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

Associated Targets(non-human)

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

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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

TyR1 (19 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 189.640 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.056 Da
• Monoisotopic Mass: 189.056 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 111.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Xirui Chen, Yujie Tu, Song Cheng, Xujing Guo, Tianying Lu, Yuqian Guo, Xiaolin Huang, Yonghua Xiong, Ben Zhong Tang.  (2022)  A colorimetric and ratiometric fluorescent paper chip for biogenic amine monitoring based on a simple pH-sensitive AIEgen.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.137928]

2. Xujing Guo, Xirui Chen, Rui Chen, Yujie Tu, Tianying Lu, Yuqian Guo, Liang Guo, Yonghua Xiong, Xiaolin Huang, Ben Zhong Tang.  (2022)  Ratiometric Monitoring of Biogenic Amines by a Simple Ammonia-Response Aiegen.  Foods,  11  (7): (932).  [PMID:35407018] [10.3390/foods11070932]

3. Xiaomei Ning, Yuhang Li, Hao Yu, Feng Peng, Hongjuan Wang, Yanhui Yang.  (2016)  Promoting role of bismuth and antimony on Pt catalysts for the selective oxidation of glycerol to dihydroxyacetone.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2015.12.020]

4. Han Huang, Yudi Liu, Yanjun Tong, Wei Zhao, Xiaomei Lyu, Ruijin Yang.  (2024)  High-Pressure Processing for Pickled Crabs: Safety, Quality and Flavor Assessment and Correlation Analysis of Spoilage Indicators.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.105227]

5. Siru Ren, Qi Zhang, Song Xue, Siyao Liu, Mengjie Rui.  (2020)  Use of Gamithromycin as a Chiral Selector in Capillary Electrophoresis.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32327223] [10.1016/j.chroma.2020.461099]

6. Jian-Jun Zhong, Ningbo Liao, Tian Ding, Xingqian Ye, Dong-Hong Liu.  (2015)  Liquid chromatographic method for toxic biogenic amines in foods using a chaotropic salt.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:26141272] [10.1016/j.chroma.2015.06.048]

7. Shiyan Liu, Xuefeng Zhang, Xin Gong, Jinxin Yu, Tao Lin, Qian Xiang, Xinnian Zeng, Jiali Liu.  (2025)  molecular and pharmacological characterization of the dopamine receptors in the oriental fruit fly, Bactrocera dorsalis.  INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY,      [PMID:40245998] [10.1016/j.ibmb.2025.104312]