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Methyl cholate - 97%, high purity , CAS No.1448-36-8

COA COA
    Grade & Purity:
  • ≥97%
In stock
Item Number
M102126
Grouped product items
SKU Size
Availability
 Price Qty
M102126-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$9.90
M102126-5g
5g
2
$34.90
M102126-25g
25g
2
$94.90
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Metabolite (5307) Steroids (129)

Basic Description

Synonyms CHEBI:177012 | EINECS 215-903-7 | Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3alpha,5beta,7alpha,12alpha)- | 4M-731 | Cholic acid, methyl ester | methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,
Specifications & Purity ≥97%
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Steroids and steroid derivatives
Subclass Bile acids, alcohols and derivatives
Intermediate Tree Nodes Hydroxy bile acids, alcohols and derivatives
Direct Parent Trihydroxy bile acids, alcohols and derivatives
Alternative Parents 7-hydroxysteroids  3-alpha-hydroxysteroids  12-hydroxysteroids  Fatty acid methyl esters  Methyl esters  Secondary alcohols  Cyclic alcohols and derivatives  Polyols  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aliphatic homopolycyclic compounds
Substituents Trihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 7-hydroxysteroid - 3-alpha-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Cyclic alcohol - Methyl ester - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic homopolycyclic compound
Description This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
External Descriptors Not available

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Cruzipain (33337 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Aspergillus fumigatus (16427 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Candida albicans (78123 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Candida parapsilosis (8521 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Sporothrix schenckii (1580 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trichophyton mentagrophytes (4846 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504765792
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504765792
IUPAC Name methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
INCHI InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChIKey DLYVTEULDNMQAR-SRNOMOOLSA-N
Smiles CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Isomeric SMILES C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
Molecular Weight 422.61
Reaxy-Rn 2822409
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2822409&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number Certificate Type Date Item
E2516017 Certificate of Analysis May 22, 2025 M102126
D2101149 Certificate of Analysis Jan 13, 2025 M102126
D2101150 Certificate of Analysis Jan 13, 2025 M102126
I2001101 Certificate of Analysis Jun 15, 2024 M102126
H2419521 Certificate of Analysis Jun 11, 2024 M102126
H2419535 Certificate of Analysis Jun 11, 2024 M102126

Chemical and Physical Properties

Solubility Soluble in warm methanol (1/20-clear), DMSO, and chloroform. Insoluble in water; Soluble in medium polarity organic solvents;Solubility in hot Methanol very faint turbidity
Specific Rotation[α] +32.0 to +37.0 deg(C=2, EtOH)
Melt Point(°C) 153-157°C
Molecular Weight 422.600 g/mol
XLogP3 3.900
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 422.303 Da
Monoisotopic Mass 422.303 Da
Topological Polar Surface Area 87.000 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 651.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
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

Solution Calculators

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