Coelenterazine - ≥94% , CAS No.55779-48-1

CAS: 55779-48-1 Cat. No.: C131248 Formula: C₂₆H₂₁N₃O₃ Molecular Weight: 423.46 EC Number: 637-236-4

GRADE & PURITY ≥94%

Synonyms

COELENTERAZINE LUCIFERIN | LUCIFERIN (OPLOPHORUS) | Coelenterazine, native, solid | BCP15542 | C-7002 | 6-(4-HYDROXYPHENYL)-2-((4-HYDROXYPHENYL)METHYL)-8-(PHENYLMETHYL)IMIDAZO(1,2-A)PYRAZIN-3(7H)-ONE | 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)meth

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

A bioluminescence probe for measuring Ca²⁺ concentration in cells with a high sensitivity and large dynamic range

Specifications

Synonyms

COELENTERAZINE LUCIFERIN | LUCIFERIN (OPLOPHORUS) | Coelenterazine, native, solid | BCP15542 | C-7002 | 6-(4-HYDROXYPHENYL)-2-((4-HYDROXYPHENYL)METHYL)-8-(PHENYLMETHYL)IMIDAZO(1,2-A)PYRAZIN-3(7H)-ONE | 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)meth

Specifications & Purity

≥94%

Biochemical and Physiological Mechanisms

When Ca 2+is combined with the complex, the luminescent group of jellyfish luminescent protein complex is oxidized by oxygen and emits light at 465 nm; It is used to measure intracellular Ca 2+concentration with high sensitivity and large dynamic range.

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥94%

Names and Identifiers

Pubchem Sid

488202912

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202912

Canonical Smiles

C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)O

IUPAC Name

8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol

InChIKey

LNCOEGVEEQDKGX-UHFFFAOYSA-N

INCHI

1S/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,30-32H,14-15H2

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)O

Molecular Weight

423.46

Reaxy-Rn

37031400

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37031400&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyrazines
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Pyrazines N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyrazine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Pyrazine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyrazines. These are organic heteropolycyclic compounds containing a pyrazine ring fused to an imidazole ring. These also include hydrogenated derivatives of the imidazopyrazine moiety. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.
• 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)

ABCB1 Tchem Multidrug resistance protein 1 (1 Activities)

Discover Target: ABCB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Sensitivity: Sensitive to light; sensitive to humidity
• Molecular Weight: 423.500 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 423.158 Da
• Monoisotopic Mass: 423.158 Da
• Topological Polar Surface Area: 90.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 585.000
• 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