Sulconazole Nitrate - ≥95% , CAS No.61318-91-0

CAS: 61318-91-0 Cat. No.: S129489 Formula: C₁₈H₁₅Cl₃N₂S·HNO₃ Molecular Weight: 460.76 EC Number: 624-696-6 PubChem CID: 65495

GRADE & PURITY ≥95%

Synonyms

HMS1570B21 | Sulcosyn | Sulconazole nitrate (JAN/USP) | SULCONAZOLE NITRATE (MART.) | SULCONAZOLE NITRATE [JAN] | SULCONAZOLE NITRATE [VANDF] | RS-44872-00-1O-3 | SW196439-3 | 1-[2-[(4-chlorophenyl)methylthio]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Sulconazole Nitrate is an imidazole derivative with broad-spectrum antifungal activity.
An antifungal agent which prevents fungal growth by inhibiting sterol synthesis.

Specifications

Synonyms

HMS1570B21 | Sulcosyn | Sulconazole nitrate (JAN/USP) | SULCONAZOLE NITRATE (MART.) | SULCONAZOLE NITRATE [JAN] | SULCONAZOLE NITRATE [VANDF] | RS-44872-00-1O-3 | SW196439-3 | 1-[2-[(4-chlorophenyl)methylthio]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Sulconazole nitrate salt is an antifungal agent which prevents fungal growth by inhibiting sterol synthesis.Antifungal imidazole derivative. Possesses a broad spectrum of activity against dermatophytes, yeasts and some Gram-positive bacteria. Heme oxygena

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

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.

Purity

≥95%

Names and Identifiers

Pubchem Sid

488183686

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183686

Canonical Smiles

C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

IUPAC Name

1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid

InChIKey

CRKGMGQUHDNAPB-UHFFFAOYSA-N

INCHI

1S/C18H15Cl3N2S.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)

Isomeric SMILES

C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]

WGK Germany

3

RTECS

NI4475000

PubChem CID

65495

Molecular Weight

460.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: N-substituted imidazoles Aryl chlorides Organic nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Organic nitrate - Organic nitro compound - Organic nitric acid - Organic nitric acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organopnictogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Associated Targets(Human)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (1 Activities)

Discover Target: HSP90AA1

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

VDR Tclin Vitamin D receptor (26531 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

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

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

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

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

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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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HTT Tchem Huntingtin (19182 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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ALPL Tchem Alkaline phosphatase, tissue-nonspecific isozyme (1551 Activities)

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

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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microRNA 21 (64692 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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

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

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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

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Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

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Streptococcus (3973 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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Streptococcus sp. 'group A' (3417 Activities)

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dnaB Replicative DNA helicase (15 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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

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ska Streptokinase A (5805 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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recA Protein RecA (2211 Activities)

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HSP90 (947 Activities)

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HSP40, subfamily A, putative (505 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 92 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Sensitivity: Light & Moisture sensitive
• Melt Point(°C): 152 °C
• Molecular Weight: 460.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 458.998 Da
• Monoisotopic Mass: 458.998 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 404.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3