Bikinin - ≥98% , CAS No.188011-69-0

CAS: 188011-69-0 Cat. No.: B152410 Molecular Weight: 273.09 EC Number: 694-754-3

GRADE & PURITY ≥98%

Synonyms

STK005425 | BCP15563 | Bikinin | Bikinin; Abrasin | Abrasin | HMS2304N16 | DB08578 | IFLab1_000935 | HY-12524 | SX2 | 4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid | S7722 | F0216-0029 | 3-[(5-bromopyridin-2-yl)carbamoyl]propanoic acid | 4-[(5-bromopy

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Bikinin is an ATP-competitive Arabidopsis GSK-3 inhibitor, and acts as a strong activator of brassinosteroid (BR) signaling.

Specifications

Synonyms

STK005425 | BCP15563 | Bikinin | Bikinin; Abrasin | Abrasin | HMS2304N16 | DB08578 | IFLab1_000935 | HY-12524 | SX2 | 4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid | S7722 | F0216-0029 | 3-[(5-bromopyridin-2-yl)carbamoyl]propanoic acid | 4-[(5-bromopy

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Cell-permeable, ATP-competitive GSK-3 inhibitor. Highly selective for 7 Arabidopsis. Strongly activates brassinosteroid signalling .

Storage

Store at 2-8°C

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

≥98%

Names and Identifiers

• Pubchem Sid: 504759772
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759772
• Canonical Smiles: C1=CC(=NC=C1Br)NC(=O)CCC(=O)O
• IUPAC Name: 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid
• InChIKey: XFYYQDHEDOXWGA-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13)
• Isomeric SMILES: C1=CC(=NC=C1Br)NC(=O)CCC(=O)O
• WGK Germany: 3
• Molecular Weight: 273.09
• Reaxy-Rn: 8144877
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8144877&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: Pyridines and derivatives Imidolactams Fatty amides Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylamide - Aryl bromide - Aryl halide - Fatty amide - Pyridine - Fatty acyl - Imidolactam - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.
• 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)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Melt Point(°C): 144 °C
• Molecular Weight: 273.080 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 271.98 Da
• Monoisotopic Mass: 271.98 Da
• Topological Polar Surface Area: 79.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 248.000
• 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