Streptochlorin - ≥95% , CAS No.120191-51-7

CAS: 120191-51-7 Cat. No.: S276470 Molecular Weight: 218.64

GRADE & PURITY ≥95%

Synonyms

4-Chloro-5-(1H-indol-3-yl)-1,3-oxazole

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4-Chloro-5-(1H-indol-3-yl)-1, 3-oxazole

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Potent antiangiogenic agent. Induces ROS-mediated apoptosis. Inhibits TNF-α-induced NF-κB activation. Shows selective cytotoxic effects against cancer cell lines. Inhibits mast cell degranulation. Shows potent anti-allergic effects in vivo.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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: 504770396
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770396
• Canonical Smiles: C1=CC=C2C(=C1)C(=CN2)C3=C(N=CO3)Cl
• IUPAC Name: 4-chloro-5-(1H-indol-3-yl)-1,3-oxazole
• InChIKey: BKYJGKRXUHPPLR-UHFFFAOYSA-N
• INCHI: 1S/C11H7ClN2O/c12-11-10(15-6-14-11)8-5-13-9-4-2-1-3-7(8)9/h1-6,13H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)C3=C(N=CO3)Cl
• Molecular Weight: 218.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: 4,5-disubstituted oxazoles Substituted pyrroles Benzenoids Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - 4,5-disubstituted 1,3-oxazole - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Pyrrole - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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(non-human)

Alternaria solani (773 Activities)

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

Phytophthora infestans (820 Activities)

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Botrytis cinerea (4183 Activities)

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Xanthomonas campestris (200 Activities)

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Uromyces viciae-fabae (41 Activities)

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Fusarium graminearum (1554 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO；Soluble in DMSO or methanol. Insoluble in water or hexane.
• Sensitivity: Moisture sensitive
• Molecular Weight: 218.640 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 218.025 Da
• Monoisotopic Mass: 218.025 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 239.000
• 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

References

1. Zhiyang Lin, Linhan Li, Kaige Song, Bin Yang, Guoqing Zhou, Gengrong Zhang, Jiang Teng, Erlong Wang, Xiaoqiang Liu, Fei Ling, Gaoxue Wang, Tianqiang Liu.  (2022)  Boronic acid-modified bacterial cellulose microspheres as packing materials for enveloped virus removal.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:36414067] [10.1016/j.scitotenv.2022.160341]

2. Gao Xue, Sun Minjun, Liu Xiuying, Li Xuepeng, Li Jianrong.  (2022)  A ratiometric fluorescence platform based on carbon dots for visual and rapid detection of copper(II) and fluoroquinolones.  MICROCHIMICA ACTA,  189  (4): (1-9).  [PMID:35292904] [10.1007/s00604-022-05243-3]

3. Ou Panpan, Wu Jiawen, Lin Yu, Tan Xuecai, Wu Yeyu, Chen Zhifan, Wei Fucun, Huang Kejing.  (2022)  Flexible photoelectrochemical sensor for highly sensitive chloramphenicol detection based on M-TiO2-CdTe QDs/CdS QDs composite.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  414  (6): (2065-2078).  [PMID:34984509] [10.1007/s00216-021-03840-4]

4. Menglong Liu, Yiyao Liu, Jingyi Xiao, Yi Ren, Xue Gao.  (2024)  Ratiometric fluorescence aptasensor based on structure-switching-triggered mimetic enzyme activity for sensitive detection of enrofloxacin.  CHEMICAL PHYSICS LETTERS,      [PMID:] [10.1016/j.cplett.2024.141684]