Cytosporone B - Moligand™, ≥98%(HPLC) , CAS No.321661-62-5

CAS: 321661-62-5 Cat. No.: C286575 Molecular Weight: 322.4 EC Number: 663-384-4
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
Synonyms
BRD-K86191271-001-01-9 | MFCD12912406 | SCHEMBL14900697 | DTXSID80443557 | C6H5NaO3S | WMA66162 | ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | Proparacaine hydrochloride [USP] | AS-16748 | GTPL5424 | 3,5-Dihydroxy-2-(1-oxooctyl)benzeneacetic ac
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
C286575-5mg
3
$114.90
10mg
C286575-10mg
3
$156.90
25mg
C286575-25mg
3
$347.90
50mg
C286575-50mg
2
$522.90
100mg
C286575-100mg
2
$835.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
BRD-K86191271-001-01-9 | MFCD12912406 | SCHEMBL14900697 | DTXSID80443557 | C6H5NaO3S | WMA66162 | ethyl 2-[2-octanoyl-3, 5-bis(oxidanyl)phenyl]ethanoate | Proparacaine hydrochloride [USP] | AS-16748 | GTPL5424 | 3, 5-Dihydroxy-2-(1-oxooctyl)benzeneacetic ac
Specifications & Purity
Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms
Naturally occurring Nur77 (NR4A1) agonist (Kd= 8.52 x 10-7M). Induces apoptosis in gastric cancer cellsin vitro. Increases blood glucose levels in fasting C57 mice and suppresses xenograft tumor growth. Also exhibits a potent antifibrotic effect in bleomy
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
AGONIST
Purity
≥98%(HPLC)
Names and Identifiers
Pubchem Sid504765580
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504765580
Canonical SmilesCCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCC
IUPAC Nameethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate
InChIKeyUVVWQQKSNZLUQA-UHFFFAOYSA-N
INCHI1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
Isomeric SMILES CCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCC
Molecular Weight 322.4
Reaxy-Rn 8718343
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8718343&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Butyrophenones  Resorcinols  Benzoyl derivatives  Aryl alkyl ketones  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Vinylogous acids  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR4A1 Tchem Nuclear receptor subfamily 4 group A member 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BGC-823 (3035 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SW-620 (52400 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR4A2 Tchem Nuclear receptor subfamily 4 group A member 2 (460 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR4A1 Tchem Nuclear receptor subfamily 4 group A member 1 (458 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR4A3 Tchem Nuclear receptor subfamily 4 group A member 3 (44 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Saccharomyces cerevisiae (19171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-12 (7051 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NIH3T3 (5395 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

5 results found

Lot NumberCertificate TypeDateItem
K2209464Certificate of AnalysisAug 12, 2025 C286575
K2209471Certificate of AnalysisAug 12, 2025 C286575
K2209484Certificate of AnalysisAug 12, 2025 C286575
K2209485Certificate of AnalysisAug 12, 2025 C286575
K2209487Certificate of AnalysisAug 12, 2025 C286575
Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 32.24, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 32.24, Max Conc. mM: 100
Molecular Weight322.400 g/mol
XLogP34.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass322.178 Da
Monoisotopic Mass322.178 Da
Topological Polar Surface Area83.800 Ų
Heavy Atom Count23
Formal Charge0
Complexity368.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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