9-Amino-1,2,3,4-tetrahydroacridine hydrochloride hydrate - ≥99% , Cholinesterases; ACHE & BCHE inhibitor, CAS No.1684-40-8, Cholinesterases; ACHE & BCHE inhibitor

CAS: 1684-40-8 Cat. No.: A135769 Peso molecular: 234.72 (anhydrous basis) Número EC: 216-867-5

GRADE & PURITY ≥99%

Synonyms

ACRIDINE, 1,2,3,4-TETRAHYDRO-9-AMINO-, MONOHYDROCHLORIDE | s4357 | TACRINE HYDROCHLORIDE [ORANGE BOOK] | 1,2,3,4-tetrahydro-9-acridinamine monohydrochloride monohydrate | NSC72108 | NSC-72108 | tacrine.HCl | Tetrahydroaminoacridine Monohydrochloride | F20

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

ACRIDINE, 1, 2, 3, 4-TETRAHYDRO-9-AMINO-, MONOHYDROCHLORIDE | s4357 | TACRINE HYDROCHLORIDE [ORANGE BOOK] | 1, 2, 3, 4-tetrahydro-9-acridinamine monohydrochloride monohydrate | NSC72108 | NSC-72108 | tacrine.HCl | Tetrahydroaminoacridine Monohydrochloride | F20

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Tipo de acción

INHIBITOR

Mecanismo de acción

Cholinesterases; ACHE & BCHE inhibitor

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504760804
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760804
• Sonrisas canónicas: C1CCC2=NC3=CC=CC=C3C(=C2C1)N.Cl
• IUPAC Name: 1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
• InChIKey: ZUFVXZVXEJHHBN-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H
• Isómeros SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)N.Cl
• WGK Alemania: 3
• CAS alternativo: 1684-40-8，206658-92-6
• Peso molecular: 234.72 (anhydrous basis)
• Reaxy-Rn: 3715548
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3715548&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: 4-aminoquinolines Aminopyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - 4-aminoquinoline - Aminoquinoline - Aminopyridine - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organic salt - Organic nitrogen compound - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic chloride salt - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• 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

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Discover Target: THRB

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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Homo sapiens (32628 Activities)

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SH-SY5Y (11521 Activities)

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

Discover Target: HSD17B10

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

Discover Target: EHMT2

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

BCHE Tclin Cholinesterases; ACHE & BCHE (1222 Activities)

Discover Target: BCHE

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

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Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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Blood (6 Activities)

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Aorta (2975 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

Discover Target: clpP

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

Ache Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) (232 Activities)

Discover Target: Ache

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat sensitive
• Peso molecular: 234.720 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 234.092 Da
• Monoisotopic Mass: 234.092 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 229.000
• 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

XLogP3

Referencias

1. Xiaoying Jiang, Jianan Guo, Yangjing Lv, Chuansheng Yao, Changjun Zhang, Zhisheng Mi, Yuan Shi, Jinping Gu, Tao Zhou, Renren Bai, Yuanyuan Xie.  (2020)  Rational design, synthesis and biological evaluation of novel multitargeting anti-AD iron chelators with potent MAO-B inhibitory and antioxidant activity.  BIOORGANIC & MEDICINAL CHEMISTRY,      [PMID:32503694] [10.1016/j.bmc.2020.115550]