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

CAS: 114-25-0 Cat. No.: B344750 分子式: C₃₃H₃₄N₄O₆ 分子量: 582.65 Beilstein Registry Number: 74351 EC番号: 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

概要

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

Specifications

同義語

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

仕様と純度

Moligand™, ≥70%

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥70%

製品の性質

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

名前と識別子

• パブケム・シド: 504763296
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504763296
• カノニカル・スマイル: 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-
• 異性体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
• 分子量: 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
    • 分類 Tetrapyrroles and derivatives
      • Subclass Bilirubins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Salmonella typhimurium (15756 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (partly), methanol, chloroform, DMSO, and ether.
• 感度: Light sensitive
• 屈折率: n20D1.64 (Predicted)
• 沸点（°C）: ~913.2° C at 760 mmHg (Predicted)
• 融点（°C）: >200° C (dec.)
• 分子量: 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

よくある質問

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.