Biliverdine - Moligand™, ≥70% , CAS No.114-25-0

CAS: 114-25-0 Cat. No.: B344750 Formule: C₃₃H₃₄N₄O₆ Poids moléculaire: 582.65 Beilstein Registry Number: 74351 Numéro CE: 204-042-2

GRADE & PURITY Moligand™, ≥70%

Synonyms

Biliverdin IX alpha | biliverdin | biliverdine | CHEBI:17033 | 1,3,6,7-Tetramethyl-4,5-dicarboxyethyl-2,8-divinylbilenone | O9MIA842K9 | dehydrobilirubin | Biliverdine Ix Alpha | uteroverdine | 21H-Biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-t

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Biliverdine is a precursor of Bilirubin that is formed in the body from hemoglobin.

Specifications

Synonymes

Biliverdin IX alpha | biliverdin | biliverdine | CHEBI:17033 | 1,3,6,7-Tetramethyl-4,5-dicarboxyethyl-2,8-divinylbilenone | O9MIA842K9 | dehydrobilirubin | Biliverdine Ix Alpha | uteroverdine | 21H-Biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-t

Spécifications et pureté

Moligand™, ≥70%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥70%

Propriétés du produit

pKa

pKa: 4.46 (Predicted), pKa: 6.83 (Predicted)

Noms et identifiants

Pubchem Sid

504763296

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763296

Sourires canoniques

CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O

IUPAC Name

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

InChIKey

RCNSAJSGRJSBKK-NSQVQWHSSA-N

INCHI

1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,34-35H,1-2,9-12H2,3-6H3,(H,37,42)(H,38,39)(H,40,41)/b24-13-,27-14-,28-15-

Isomères SMILES

CC\1=C(/C(=C/C2=C(C(=C(N2)/C=C\3/C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)/N/C1=C\C4=NC(=O)C(=C4C)C=C)CCC(=O)O

Poids moléculaire

582.65

Beilstein

74351

Reaxy-Rn

32022356

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32022356&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Tetrapyrroles and derivatives
      • Subclass Bilirubins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Tetrapyrroles and derivatives
• Subclass: Bilirubins
• Intermediate Tree Nodes: Not available
• Direct Parent: Bilirubins
• Alternative Parents: Dipyrrins Dicarboxylic acids and derivatives Pyrrolines Heteroaromatic compounds Secondary carboxylic acid amides N-acylimines Lactams Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bilirubin skeleton - Dipyrrin - Dicarboxylic acid or derivatives - Substituted pyrrole - Pyrrole - Pyrroline - Heteroaromatic compound - Carboxamide group - N-acylimine - Lactam - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bilirubins. These are organic compounds containing a dicarboxylic acyclic tetrapyrrole derivative.
• 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

Cibles associées (humaines)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Caco-2 (12174 Activities)

Explore this target

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

Cibles associées (non humaines)

Salmonella typhimurium (15756 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (partly), methanol, chloroform, DMSO, and ether.
• Sensibilité: Light sensitive
• Indice de réfraction: n20D1.64 (Predicted)
• Point d'ébullition (°C): ~913.2° C at 760 mmHg (Predicted)
• Point de fusion (°C): >200° C (dec.)
• Poids moléculaire: 582.600 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 582.248 Da
• Monoisotopic Mass: 582.248 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1530.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥70% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 114-25-0, the molecular formula is C33H34N4O6, and the molecular weight is 582.65 g/mol. InChIKey RCNSAJSGRJSBKK-NSQVQWHSSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.