9-Anthroic acid - Moligand™, ≥98% , Channel blocker of CaCC;Channel blocker of ClC-1, CAS No.723-62-6, Channel blocker of CaCC;Channel blocker of ClC-1

CAS: 723-62-6 Cat. No.: A101360 Fórmula: C₁₅H₁₀O₂ Peso molecular: 222.24 Beilstein Registry Number: 1875336 Número CE: 211-964-9

GRADE & PURITY Moligand™, ≥98%

Synonyms

CAS-723-62-6 | XGWFJBFNAQHLEF-UHFFFAOYSA- | anthracene-9-carboxylic acid | HMS3675L16 | Tox21_202942 | 7VK69492FV | (9-AC) | FT-0621619 | NCGC00024906-03 | KBioGR_001569 | Spectrum4_000875 | 9-Anthracenecarboxylic acid | A0690 | KBio3_002733 | DTXCID60293

Storage

Room temperature

Shipped In

Normal

Visão geral

application：

9-Anthracenecarboxylic acid can be used as a starting material to synthesize:

9-Cyanoanthracene by reacting with cyanohydrins in the presence of a palladium catalyst.

6-Chloro-8-(9-anthracenyl)-9H-purine by Ag/SiO2 catalyzed reaction one-pot reaction with 6-chloro-4,5-pyrimidinediamine.

It can also be used as a cross-linking agent to functionalize organic second-order nonlinear optical materials to enhance poling efficiency and temporal stability.

Specifications

Sinónimos

CAS-723-62-6 | XGWFJBFNAQHLEF-UHFFFAOYSA- | anthracene-9-carboxylic acid | HMS3675L16 | Tox21_202942 | 7VK69492FV | (9-AC) | FT-0621619 | NCGC00024906-03 | KBioGR_001569 | Spectrum4_000875 | 9-Anthracenecarboxylic acid | A0690 | KBio3_002733 | DTXCID60293

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Cl-transport inhibitor with a moderate to strong inhibitory action on PKA activated cardiac IcI.

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Moligand™

Tipo de ação

CHANNEL BLOCKER

Mecanismo de ação

Channel blocker of CaCC;Channel blocker of ClC-1

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488179675

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179675

Sorrisos canónicos

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)O

IUPAC Name

anthracene-9-carboxylic acid

InChIKey

XGWFJBFNAQHLEF-UHFFFAOYSA-N

INCHI

1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)

SMILES isoméricas

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)O

WGK Alemanha

3

RTECS

CB8764000

Peso molecular

222.24

Beilstein

1875336

Reaxy-Rn

1875336

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875336&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes
      • Subclass Anthracenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Anthracenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenecarboxylic acids
• Alternative Parents: Naphthalenecarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene carboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
• External Descriptors: anthroic 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

Alvos associados (humanos)

CLCN1 Tbio Chloride channel protein 1 (0 Activities)

Discover Target: CLCN1

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

ANO1 Tclin Anoctamin-1 (0 Activities)

Discover Target: ANO1

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

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

Discover Target: SLC16A1

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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

SLC16A7 Tchem Monocarboxylate transporter 2 (11 Activities)

Discover Target: SLC16A7

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Caenorhabditis elegans (1055 Activities)

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

Meloidogyne incognita (862 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

Heterorhabditis bacteriophora (7 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:ethanol, Max Conc. mg/mL: None, Max Conc. mM: 10; Solvent:DMSO, Max Conc. mg/mL: None, Max Conc. mM: 100
• Ponto de fusão (°C): 213-217 °C
• Peso molecular: 222.240 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 222.068 Da
• Monoisotopic Mass: 222.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 277.000
• 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