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

CAS: 120191-51-7 Cat. No.: S276470 분자식: C₁₁H₇ClN₂O 분자량: 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

동의어

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

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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참고

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.

순수함

≥95%

이름과 식별자

Pubchem Sid

504770396

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770396

정식 스마일

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

이성체 SMILES

C1=CC=C2C(=C1)C(=CN2)C3=C(N=CO3)Cl

분자량

218.64

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

Alternaria solani (773 Activities)

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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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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO；Soluble in DMSO or methanol. Insoluble in water or hexane.
• 감도: Moisture sensitive
• 분자량: 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 120191-51-7, the molecular formula is C11H7ClN2O, and the molecular weight is 218.64 g/mol. InChIKey BKYJGKRXUHPPLR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.