P7C3-A20 - ≥98% , CAS No.1235481-90-9

CAS: 1235481-90-9 Cat. No.: P412300 Formula: C₂₂H₁₉Br₂FN₂₀ Molecular Weight: 506.21 PubChem CID: 46853447

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770816
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770816
• Canonical Smiles: 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
• Isomeric SMILES: COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)F
• PubChem CID: 46853447
• Molecular Weight: 506.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 100 mg/mL(197.55 mM) in DMSO;＜1 mg/Ml in ethanol and wate
• Molecular Weight: 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