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Jatrorrhizine Hydrochloride - 10mM in DMSO, high purity , CAS No.6681-15-8
Basic Description
Synonyms
Jatrorrhizine hydrochloride | Jatrorrhizine chloride | 6681-15-8 | Jatrorrhizine (chloride) | Neprotine chloride | Jatrochizine chloride | 6681-15-8 (chloride) | Jatorrhizine, chloride | NSC645313 | 3-hydroxy-2,9,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-iu
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Protoberberine alkaloids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Protoberberine alkaloids and derivatives
Alternative Parents
Isoquinolines and derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Isoquinoline - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Organic salt - Organic chloride salt - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.
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.
Associated Targets(Human)
Associated Targets(non-human)
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
2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol;chloride
INCHI
InChI=1S/C20H19NO4.ClH/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3;/h4-5,8-11H,6-7H2,1-3H3;1H
InChIKey
JKMUUZMCSNHBAX-UHFFFAOYSA-N
Smiles
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC.[Cl-]
Isomeric SMILES
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC.[Cl-]
Alternate CAS
960383-96-4
Molecular Weight
373.83
Reaxy-Rn
3898703
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3898703&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Molecular Weight
373.800 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
373.108 Da
Monoisotopic Mass
373.108 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
461.000
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
Citations of This Product
1.
Yingxin Chen, Xiaotong Huang, Lu Li, Junxian Wu, Yongqi Guo, Yachao Yao, Lihua Zhou.
(2022)
Paper mill sludge-based carbon quantum dots as a specifically ratiometric fluorescent probe for the sensitive and selective detection of coptisine. LUMINESCENCE,
37
(7):
(1078-1086).
2.
Lu Shao Hua, Zhang Ming Cai, Zhai Hong Lin, Bi Ke Xin, Zhao Bing Qiang.
(2022)
Rapid Determination in the Quality Control of Chinese Patent Medicine. Journal of Pharmaceutical Innovation,
17
(4):
(1305-1313).
3.
Siyuan Sun, Sisi Zhou, Shaowei Lei, Shujie Zhu, Kai Wang, Huidi Jiang, Hui Zhou.
(2019)
Jatrorrhizine reduces 5-HT and NE uptake via inhibition of uptake-2 transporters and produces antidepressant-like action in mice. XENOBIOTICA,
49
(10):
(1237-1243).
4.
Wenpeng Zhang, Zilin Chen.
(2013)
Preparation of micropipette tip-based molecularly imprinted monolith for selective micro-solid phase extraction of berberine in plasma and urine samples. TALANTA,
103
(103).
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4 Citations