P7C3-A20 - ≥98% , CAS No.1235481-90-9

CAS: 1235481-90-9 Cat. No.: P412300 分子式: C₂₂H₁₉Br₂FN₂₀ 分子量: 506.21 PubChem CID: 46853447

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

P7C3-A20 is a highly active analogue of P7C3. P7C3-A20 is neuroprotective and promotes endogenous reparative strategies after TBI (Traumatic brain injury).

Specifications

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 504770816
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504770816
• カノニカル・スマイル: COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)F
• IUPAC Name: N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline
• InChIKey: XNLTWMQBJFWQOU-UHFFFAOYSA-N
• INCHI: 1S/C22H19Br2FN2O/c1-28-18-4-2-3-17(11-18)26-12-16(25)13-27-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)27/h2-11,16,26H,12-13H2,1H3
• 異性体SMILES: COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)F
• PubChem CID: 46853447
• 分子量: 506.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Brominated biphenyls
          • Level6 Polybrominated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Brominated biphenyls
• Direct Parent: Polybrominated biphenyls
• Alternative Parents: Carbazoles N-alkylindoles Aminophenyl ethers Methoxyanilines Indoles Phenylalkylamines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Secondary alkylarylamines Substituted pyrroles Aryl bromides Heteroaromatic compounds Azacyclic compounds Alkyl fluorides Organobromides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polybrominated biphenyl - Carbazole - N-alkylindole - Indole or derivatives - Indole - Methoxyaniline - Aminophenyl ether - Phenoxy compound - Methoxybenzene - Phenol ether - Phenylalkylamine - Aniline or substituted anilines - Anisole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aryl halide - Aryl bromide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Secondary amine - Organoheterocyclic compound - Ether - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Alkyl halide - Organooxygen compound - Alkyl fluoride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.
• 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

関連ターゲット（非人間）

Mus musculus (284745 Activities)

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

NSC (149 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: 100 mg/mL(197.55 mM) in DMSO;＜1 mg/Ml in ethanol and wate
• 分子量: 506.200 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 505.983 Da
• Monoisotopic Mass: 503.985 Da
• Topological Polar Surface Area: 26.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 487.000
• 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: 1