4,4-Difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-propionic Acid - ≥97% , CAS No.165599-63-3

CAS: 165599-63-3 Cat. No.: B171436 Molecular Weight: 292.09 EC Number: 842-552-2

GRADE & PURITY ≥97%

Synonyms

4-Chlordehydromethyltestosterone | YSZC1843 | BODIPY 503/512 | J-010214 | SCHEMBL14165470 | BJDJEJIINKBPHY-UHFFFAOYSA-N | 4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacene-3-propionic acid | cis-alpha,alpha'-epoxybibenzyl | F01-0012 | NSC 142325 | D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Borondipyrromethene (BODIPY) dyes are bright and photostable fluorophores. BDP FL is a dye for fluorescein (FAM) channel. This is a free unactivated carboxylic acid derivative of BDP FL. This reagent is useful as a non-reactive control, for reference, and calibration. It can also be used for the conjugation after the activation with carbodiimides.

Specifications

Synonyms

4-Chlordehydromethyltestosterone | YSZC1843 | BODIPY 503/512 | J-010214 | SCHEMBL14165470 | BJDJEJIINKBPHY-UHFFFAOYSA-N | 4, 4-difluoro-5, 7-dimethyl-4-bora-3a, 4a-diaza-s-indacene-3-propionic acid | cis-alpha, alpha'-epoxybibenzyl | F01-0012 | NSC 142325 | D

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Free unactivated carboxylic acid derivative of BDP FL. Non-reactive control for reference and calibration. Can be used for conjugation after activation with carbodiimides.

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.

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

≥97%

Names and Identifiers

• Pubchem Sid: 504764902
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764902
• Canonical Smiles: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)O)C)C)(F)F
• IUPAC Name: 3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoic acid
• InChIKey: BJDJEJIINKBPHY-UHFFFAOYSA-N
• INCHI: 1S/C14H15BF2N2O2/c1-9-7-10(2)18-13(9)8-12-4-3-11(5-6-14(20)21)19(12)15(18,16)17/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)
• Isomeric SMILES: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)O)C)C)(F)F
• Molecular Weight: 292.09
• Reaxy-Rn: 9347491
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9347491&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Substituted pyrrole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic metalloid salt - Azacycle - Carbonyl group - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• External Descriptors: monocarboxylic acid - BODIPY dye

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)

A-375 (9258 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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FaDu (1726 Activities)

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Associated Targets(non-human)

NIH3T3 (5395 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: good in DMF, DMSO, alcohols
• Sensitivity: light sensitive;Hygroscopic
• Melt Point(°C): 196 °C
• Molecular Weight: 292.090 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 292.119 Da
• Monoisotopic Mass: 292.119 Da
• Topological Polar Surface Area: 45.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 598.000
• 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

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