Dehydrocholic acid - 10mM in DMSO , CAS No.81-23-2

CAS: 81-23-2 Cat. No.: D426103 Fórmula: C₂₄H₃₄O₅ Peso molecular: 402.52 Beilstein Registry Number: 3226734 Número EC: 201-335-7

GRADE & PURITY 10mM in DMSO

Synonyms

dehydrocholic acid|81-23-2|Decholin|Dehystolin|Felacrinos|Sanocholen|Dilabil|Ketocholanic acid|Chologon|Oxycholin|Procholon|Bilidren|Bilostat|Cholagon|Cholimed|Dehychol|Didrocolo|Drenobyl|Novocolin|Acolen|Dehycon|Didocol|Erebile|Hykolex|Triketocholanic ac

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Dehydrocholic acid was used to study the interaction of bile salts with copper ions in unbuffered systems.

Specifications

Sinónimos

dehydrocholic acid | 81-23-2 | Decholin | Dehystolin | Felacrinos | Sanocholen | Dilabil | Ketocholanic acid | Chologon | Oxycholin | Procholon | Bilidren | Bilostat | Cholagon | Cholimed | Dehychol | Didrocolo | Drenobyl | Novocolin | Acolen | Dehycon | Didocol | Erebile | Hykolex | Triketocholanic ac

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Dehydrocholic acid is an oxidation product of cholic acid by chromic acid that is not present in physiological conditions. When used in animal experiments, it stimulates bile secretion

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Propiedades del producto

• ALogP: 2.6

Nombres e identificadores

• Pubchem Sid: 528770398
• Sonrisas canónicas: CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C
• IUPAC Name: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
• InChIKey: OHXPGWPVLFPUSM-KLRNGDHRSA-N
• INCHI: 1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
• Isómeros SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C
• WGK Alemania: 2
• RTECS: FZ2300000
• Peso molecular: 402.52
• Beilstein: 3226734
• Reaxy-Rn: 2711492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2711492&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Bile acids, alcohols and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Bile acids, alcohols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Bile acids, alcohols and derivatives
• Alternative Parents: 7-oxosteroids 3-oxo-5-beta-steroids Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bile acid, alcohol, or derivatives - 3-oxosteroid - 3-oxo-5-beta-steroid - 7-oxosteroid - Oxosteroid - 12-oxosteroid - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
• External Descriptors: C24 bile acids, alcohols, and derivatives

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

Objetivos asociados (humanos)

POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Rotación específica [α]: 30.5 ° (C=2, Dioxane)
• Punto de fusión (°C): 237°C
• Peso molecular: 402.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 402.241 Da
• Monoisotopic Mass: 402.241 Da
• Topological Polar Surface Area: 88.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 756.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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