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Isoquinoline-1-carboxylic acid - 98%, high purity , CAS No.486-73-7

2 Citations

COA

Grade & Purity:

≥98%

Cas Number: 486-73-7
Molecular Weight: 173.17
Beilstein Registry Number: 129177
EC Number: 207-639-6
MDL number: MFCD00006901
PubChem CID: 68092
PubChem SID: 488184083

In stock

Item Number

I111156

Grouped product items
SKU	Size	Availability	Price
I111156-1g	1g	10	$12.90
I111156-5g	5g	10	$39.90
I111156-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
I111156-25g	25g	2	$129.90
I111156-100g	100g	3	$299.90
I111156-500g	500g	2	$999.90

View related series

Pyridines (1259) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	AC-10287 \| STR06344 \| EINECS 207-639-6 \| F2191-0251 \| Isoquinoline-1-carboxylic acid, 99% \| isoquinoline-1carboxylic acid \| Isoquinoline-1-carboxylic acid \| 1-Carboxyisoquinoline \| B8AHM99SW2 \| Isoquinaldic acid \| SCHEMBL287165 \| DTXSID60197566 \| NSC 2183
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Product Application： Isoquinoline-1-carboxylic acid was used in the preparation of 4-cyano-3-ethoxy-1-hydroxy-5,6,7,8-tetrahydroisoquinoline.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolines and derivatives
Alternative Parents	Pyridinecarboxylic acids Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
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

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

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

TYR Tclin Tyrosinase (717 Activities)

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MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

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MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

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MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

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Associated Targets(non-human)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

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Mmp2 Matrix metalloproteinase-2 (12 Activities)

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

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Mechanisms of Action

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

Names and Identifiers

Pubchem Sid	488184083
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184083
IUPAC Name	isoquinoline-1-carboxylic acid
INCHI	InChI=1S/C10H7NO2/c12-10(13)9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H,12,13)
InChIKey	XAAKCCMYRKZRAK-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=CN=C2C(=O)O
Isomeric SMILES	C1=CC=C2C(=C1)C=CN=C2C(=O)O
WGK Germany	3
Molecular Weight	173.17
Beilstein	129177
Reaxy-Rn	129177
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=129177&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
I2004043	Certificate of Analysis	Jun 14, 2024	I111156
D23142309	Certificate of Analysis	Apr 28, 2023	I111156
H1520034	Certificate of Analysis	Apr 13, 2023	I111156
H1824082	Certificate of Analysis	Jun 23, 2022	I111156
D23142357	Certificate of Analysis	Jun 23, 2022	I111156
H1824081	Certificate of Analysis	Jun 23, 2022	I111156
F2208438	Certificate of Analysis	Mar 24, 2022	I111156
F2208136	Certificate of Analysis	Mar 24, 2022	I111156

Chemical and Physical Properties

Solubility	Soluble in water
Melt Point(°C)	160-165°C
Molecular Weight	173.170 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	173.048 Da
Monoisotopic Mass	173.048 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205.000
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

How to Cite Aladdin Scientific Products?

1. Xiaohui Feng, Zhonghai Tang, Bingyao Chen, Shengnan Feng, Yu Liu, Qingshi Meng. (2022) A high-efficiency quantitation method for fatty aldehyde based on chemical isotope-tagged derivatisation. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, 107 (104381).
2. Xiangxiang Qin, Xia Xu, Jing Lu, Yinggui Zhu. (2019) Highly efficient electrochemiluminescence of quinoline and isoquinoline in aqueous solution. ELECTROCHEMISTRY COMMUNICATIONS, 101 (19).

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