1-Hydroxy-2-naphthoic acid - Moligand™,10mM in DMSO , CAS No.86-48-6

CAS: 86-48-6 Cat. No.: H426433 Peso molecular: 188.18 Beilstein Registry Number: 974438 Número EC: 201-674-0

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

AKOS001080081 | CHEBI:36108 | InChI=1/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14 | 7-Naphthol-2-carboxaldehyde | CARBOXYNAPHTHOL | STL373496 | 1-hydroxy-2-naphthalene carboxylic acid | Q27104334 | A841684 | AC-13237 | NSC 3717 | EN30

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

1-Hydroxy-2-naphthoic acid is produced by the transformation of phenanthrene by NCIB 9816 clones.

Specifications

Sinónimos

AKOS001080081 | CHEBI:36108 | InChI=1/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6, 12H, (H, 13, 14 | 7-Naphthol-2-carboxaldehyde | CARBOXYNAPHTHOL | STL373496 | 1-hydroxy-2-naphthalene carboxylic acid | Q27104334 | A841684 | AC-13237 | NSC 3717 | EN30

Especificaciones y pureza

Moligand™, 10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O
• IUPAC Name: 1-hydroxynaphthalene-2-carboxylic acid
• InChIKey: SJJCQDRGABAVBB-UHFFFAOYSA-N
• INCHI: 1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
• Isómeros SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O
• WGK Alemania: 3
• Peso molecular: 188.18
• Beilstein: 974438
• Reaxy-Rn: 974438
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=974438&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Naphthols and derivatives Salicylic acid and derivatives 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 1-naphthol - Salicylic acid or derivatives - Hydroxybenzoic acid - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• External Descriptors: naphthols - hydroxy monocarboxylic acid - naphthoic acid

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

Objetivos asociados (humanos)

LDHA Tchem L-lactate dehydrogenase A chain (1573 Activities)

Discover Target: LDHA

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

LDHB Tchem L-lactate dehydrogenase B chain (463 Activities)

Discover Target: LDHB

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

Objetivos asociados (no humanos)

NA Neuraminidase (1107 Activities)

Discover Target: NA

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

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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

Influenza A virus (11224 Activities)

Explore this target

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

MDCK (10148 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): 302 °F
• Punto de inflamación (°C): 150 °C
• Punto de fusión (°C): 195-200°C
• Peso molecular: 188.180 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.047 Da
• Monoisotopic Mass: 188.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 227.000
• 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

Referencias

1. Junlan Li, Wanli Peng, Xianqi Yin, Xiaozheng Wang, Zhixiang Liu, Qinchen Liu, Zixin Deng, Shuangjun Lin, Rubing Liang.  (2023)  Identification of an efficient phenanthrene-degrading Pseudarthrobacter sp. L1SW and characterization of its metabolites and catabolic pathway.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38086304] [10.1016/j.jhazmat.2023.133138]

2. Guangbao Zhang, Xiaohui Yang, Zhenhua Zhao, Tao Xu, Xiaoqiang Jia.  (2021)  Artificial Consortium of Three E. coli BL21 Strains with Synergistic Functional Modules for Complete Phenanthrene Degradation.  ACS Synthetic Biology,      [PMID:34914358] [10.1021/acssynbio.1c00349]

3. Shanshan Sun, Haizhen Wang, Yuanzhi Chen, Jun Lou, Laosheng Wu, Jianming Xu.  (2018)  Salicylate and phthalate pathways contributed differently on phenanthrene and pyrene degradations in Mycobacterium sp. WY10.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:30388634] [10.1016/j.jhazmat.2018.10.064]

4. Hao Yu, Shuxue Zhao, Lizhong Guo.  (2017)  Novel Gene Encoding 5-Aminosalicylate 1,2-Dioxygenase from Comamonas sp. Strain QT12 and Catalytic Properties of the Purified Enzyme.  JOURNAL OF BACTERIOLOGY,  200  (1):   [PMID:29038259] [10.1128/jb.00395-17]

5. Zhongbin Pan, Yu Cheng, Zhicheng Li, Pang Xi, Peng Wang, Xu Fan, Hanxi Chen, Jinjun Liu, Junfei Luo, Jinhong Yu, Minhao Yang, Jiwei Zhai, Weiping Li.  (2025)  Aluminum Macrocycles Induced Superior High-temperature Capacitive Energy Storage for Polymer-based Dielectrics via Constructing Charge Trap Rings.  Energy & Environmental Science,      [PMID:] [10.1039/D4EE05689B]

6. Li-Hong Su, Hai-Long Qian, Shu-Ting Xu, Cheng Yang, Xiu-Ping Yan.  (2024)  Calixarene incorporated molecular imprinting on covalent organic framework for supramolecular recognition and specific extraction of citrinin.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:39423644] [10.1016/j.jhazmat.2024.136150]

7. Sihui Ding, Yu Xu, Song Xue, Ang Li, Qi Zhang.  (2024)  Capillary electrophoresis separations with deep eutectic solvents as greener separation media: A proof-of-concept study.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38237289] [10.1016/j.chroma.2024.464644]

8. Sihui Ding, Yu Xu, Song Xue, Siyao Liu, Haoxiang Meng, Qi Zhang.  (2024)  Deep eutectic solvents as a green alternative to organic solvents for β-cyclodextrin pseudo-stationary phase in capillary electrophoresis.  TALANTA,      [PMID:38678923] [10.1016/j.talanta.2024.126126]

9. Xiaoxiao Liang, Shiyuan Liu, Zebin Li, Yuehua Deng, Yanbin Jiang, Huaiyu Yang.  (2024)  Efficient cocrystal coformer screening based on a Machine learning Strategy: A case study for the preparation of imatinib cocrystal with enhanced physicochemical properties.  EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS,      [PMID:38309538] [10.1016/j.ejpb.2024.114201]

10. Nanjun Chen, Zichen Ning, Zhuoshan Gong, Limin Zhou, Li Xu, Feiqiang He, Zhi Gao, Jerry Y. Y. Heng, Shichao Du, Jinbo Ouyang.  (2025)  Realizing Aggregation-Induced Emission Improvement and Multistimulus-Responsive Reversible Fluorescence Switching through Multicomponent Crystals.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.4c01754]

11. Pengrui Zhang, Haiyang Zhang, Xinyu Yang, Yuanli Wu, Shanshan Dai, Yanqin Ding, Shanshan Sun.  (2026)  A distinct 2,2′-diphenic acid-mediated pyrene degradation pathway in a novel PAH degrader, Glutamicibacter soli ENR6.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,      [PMID:] [10.1128/aem.02064-25]