Ambroxol HCl - Moligand™,≥99% , CAS No.23828-92-4

CAS: 23828-92-4 Cat. No.: A129556 Peso molecular: 414.56 Número EC: 245-899-2

GRADE & PURITY Moligand™, ≥99%

Synonyms

Hustless (TN) | NCGC00092387-01 | trans-4-[(2-Amino-3,5-dibromobenzyl)amino]cyclohexanol Hydrochloride | Ambroxol hydrochloride | Ambroxol hydrochloride 100 microg/mL in Acetonitrile | Ambroxolhydrochloride | Ponophen | Q27275396 | 4-{[(2-Amino-3,5-dibrom

Storage

Room temperature

Shipped In

Normal

Descripción general

AmbroxolHCl is a potent inhibitor of the neuronal Na+ channels, inhibits TTX-resistant Na+ currents with IC50 of 35.2 μM and 22.5 μM for tonic and phasic block, inhibits TTX-sensitive Na+ currents with IC50 of 100 μM. Phase 3.
An expectorant antioxidant and antiinflammatory agent

Specifications

Sinónimos

Hustless (TN) | NCGC00092387-01 | trans-4-[(2-Amino-3, 5-dibromobenzyl)amino]cyclohexanol Hydrochloride | Ambroxol hydrochloride | Ambroxol hydrochloride 100 microg/mL in Acetonitrile | Ambroxolhydrochloride | Ponophen | Q27275396 | 4-{[(2-Amino-3, 5-dibrom

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

Ambroxol hydrochloride is a small molecule expectorant and mucolytic agent with antioxidant and antiinflammatory effects. Ambroxol stimulates the secretion of surfactant which decreases mucus adhesion to the bronchial lining and produces expectorant effec

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Moligand™

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488187420
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187420
• Sonrisas canónicas: C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O.Cl
• IUPAC Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol;hydrochloride
• InChIKey: QNVKOSLOVOTXKF-UHFFFAOYSA-N
• INCHI: 1S/C13H18Br2N2O.ClH/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;/h5-6,10-11,17-18H,1-4,7,16H2;1H
• Isómeros SMILES: C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O.Cl
• RTECS: GV8425000
• CAS alternativo: 18683-91-5
• Peso molecular: 414.56
• Reaxy-Rn: 6882396
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6882396&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines 2-bromoanilines Cyclohexylamines Cyclohexanols Bromobenzenes Aralkylamines Aryl bromides Cyclic alcohols and derivatives Dialkylamines Primary amines Organopnictogen compounds Organobromides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Aniline or substituted anilines - 2-bromoaniline - Phenylmethylamine - Bromobenzene - Cyclohexanol - Aralkylamine - Cyclohexylamine - Halobenzene - Aryl bromide - Aryl halide - Cyclic alcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrochloride - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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)

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

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol, water (~5 mg/ml), ethanol (~5 mg/ml), and DMSO (50 mM). Insoluble in ether.
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 235°C(dec.)(lit.)
• Peso molecular: 414.560 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 413.953 Da
• Monoisotopic Mass: 411.955 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 259.000
• 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. Yushi Ding, Suyun Yu, Zhonghong Wei, Rui Deng, Peng Chen, Yifan Sun, Qi Jia, Xiaoman Li, Yuanyuan Wu, Wenxing Chen, Kurt S. Zanker, Aiyun Wang, Yin Lu.  (2020)  Relieving Sore Throat Formula Exerts a Therapeutic Effect on Pharyngitis through Immunoregulation and NF-κB Pathway.  MEDIATORS OF INFLAMMATION,      [PMID:32508523] [10.1155/2020/2929163]

2. Sovichea Lay, Hai-ning Yu, Bao-xiang Hu, Sheng-rong Shen.  (2016)  Molecularly imprinted polymers as the extracted sorbents of clenbuterol ahead of liquid chromatographic determination.  Journal of Zhejiang University-SCIENCE B,      [PMID:27256680] [10.1631/jzus.B1500225]

3. Binbin Shao, Chenkai Hu, Hainan Zhao, Chengcheng Xiao, Erdeng Du, Anhong Cai, Jing Deng.  (2024)  Degradation of ambroxol by UV/chloramine process: Kinetics, degradation pathway, and control of the risk of highly toxic disinfection by-products.  ENVIRONMENTAL POLLUTION,      [PMID:39393762] [10.1016/j.envpol.2024.125091]

4. Fan Zhang, Yajie Ma, Jie Mei, Xinrong Xie, Xiaoyan Wang, Yuanyuan Zhang, Boyang Yu.  (2026)  Complementary Roles and Synergy of the Ephedra-Glycyrrhiza Herb Pair Across Murine Models of Respiratory Symptoms and Poly(I:C)-Induced Pneumonia.  PHYTOMEDICINE,      [PMID:41539102] [10.1016/j.phymed.2026.157795]