Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product Solution Calculators Reviews

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Why this grade

Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 42 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

GPBA receptor (TGR5) partial agonist (EC50= 2.25μM; 72% efficacy). Displays no activity at FXR. Also inhibits protein phosphate 1B (PTP1B) and glycogen phosphorylase. Suppresses cell proliferation and increases apoptosis in T24 bladder cancer cells. Antid

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of GPBA receptor

Purity

≥97%

Names and Identifiers

Pubchem Sid

504751964

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751964

Canonical Smiles

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

IUPAC Name

(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

InChIKey

MIJYXULNPSFWEK-GTOFXWBISA-N

INCHI

1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1

Isomeric SMILES

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O

WGK Germany

RTECS

RK0177965

Molecular Weight

456.7

Beilstein

10(4)1164

Reaxy-Rn

2228564

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2228564&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

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Triterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Triterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Triterpenoids
Alternative Parents	Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Triterpenoid - Cyclic alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors	Oleanane triterpenoids
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

3D Structure

Associated Targets(Human)

CES1 Tchem Liver carboxylesterase 1 (1 Activities)

Discover Target: CES1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTPN1 Tchem Tyrosine-protein phosphatase non-receptor type 1 (4 Activities)

Discover Target: PTPN1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTPRC Tchem Receptor-type tyrosine-protein phosphatase C (1 Activities)

Discover Target: PTPRC

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F3 Tclin Tissue factor (1 Activities)

Discover Target: F3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AKR1B10 Tchem Aldo-keto reductase family 1 member B10 (5 Activities)

Discover Target: AKR1B10

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GPBAR1 Tchem G-protein coupled bile acid receptor 1 (1 Activities)

Discover Target: GPBAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CDC25B Tchem M-phase inducer phosphatase 2 (1 Activities)

Discover Target: CDC25B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

TOP1 Tclin DNA topoisomerase I (7553 Activities)

Discover Target: TOP1

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

TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)

Discover Target: TOP2A

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

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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

PTPN2 Tchem T-cell protein-tyrosine phosphatase (1317 Activities)

Discover Target: PTPN2

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

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

CETP Tchem Cholesteryl ester transfer protein (2422 Activities)

Discover Target: CETP

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

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

AMY2A Tclin Pancreatic alpha-amylase (74 Activities)

Discover Target: AMY2A

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

DUSP3 Tchem Dual specificity protein phosphatase 3 (1161 Activities)

Discover Target: DUSP3

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

PTPRA Tchem Receptor-type tyrosine-protein phosphatase alpha (287 Activities)

Discover Target: PTPRA

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

STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

Discover Target: STAT3

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

PTPN6 Tchem Protein-tyrosine phosphatase 1C (687 Activities)

Discover Target: PTPN6

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

PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)

Discover Target: PTPN7

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

PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)

Discover Target: PTPN11

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

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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

PTPRC Tchem Leukocyte common antigen (2317 Activities)

Discover Target: PTPRC

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

PTPRF Tchem Receptor-type tyrosine-protein phosphatase F (LAR) (718 Activities)

Discover Target: PTPRF

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

HSD17B2 Tchem Estradiol 17-beta-dehydrogenase 2 (1671 Activities)

Discover Target: HSD17B2

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

Homo sapiens (32628 Activities)

Lot Number	Certificate Type	Date	Item
G2214310	Certificate of Analysis	Apr 07, 2026	O110088
G2214311	Certificate of Analysis	Apr 07, 2026	O110088
L2525637	Certificate of Analysis	Dec 31, 2025	O110088
L2525636	Certificate of Analysis	Dec 31, 2025	O110088
L2525635	Certificate of Analysis	Dec 31, 2025	O110088
L2525634	Certificate of Analysis	Dec 31, 2025	O110088
L2525621	Certificate of Analysis	Dec 31, 2025	O110088
I2623117	Certificate of Analysis	Dec 31, 2025	O110088
I2609126	Certificate of Analysis	Dec 31, 2025	O110088
G2609153	Certificate of Analysis	Dec 31, 2025	O110088
I2508301	Certificate of Analysis	Sep 13, 2025	O110088
I2508462	Certificate of Analysis	Sep 13, 2025	O110088
I2508461	Certificate of Analysis	Sep 13, 2025	O110088
I2508460	Certificate of Analysis	Sep 13, 2025	O110088
I2508459	Certificate of Analysis	Sep 13, 2025	O110088
K2119004	Certificate of Analysis	Sep 04, 2025	O110088
D2129107	Certificate of Analysis	Feb 07, 2025	O110088
C1723002	Certificate of Analysis	Nov 13, 2024	O110088
G2403644	Certificate of Analysis	Jul 15, 2024	O110088
J2421275	Certificate of Analysis	Jul 15, 2024	O110088
G2403643	Certificate of Analysis	Jul 15, 2024	O110088
G2403642	Certificate of Analysis	Jul 15, 2024	O110088
G2517043	Certificate of Analysis	Jul 15, 2024	O110088
G2403673	Certificate of Analysis	Jul 15, 2024	O110088
G2403648	Certificate of Analysis	Jul 15, 2024	O110088
G2403646	Certificate of Analysis	Jul 15, 2024	O110088
G2403645	Certificate of Analysis	Jul 15, 2024	O110088
E2509390	Certificate of Analysis	Apr 03, 2024	O110088
E2509389	Certificate of Analysis	Apr 03, 2024	O110088
A2408013	Certificate of Analysis	Oct 31, 2023	O110088
J2325611	Certificate of Analysis	Oct 31, 2023	O110088
J2325574	Certificate of Analysis	Oct 31, 2023	O110088
J2325573	Certificate of Analysis	Oct 31, 2023	O110088
J2325572	Certificate of Analysis	Oct 31, 2023	O110088
J2325571	Certificate of Analysis	Oct 31, 2023	O110088
J2325570	Certificate of Analysis	Oct 31, 2023	O110088
F2326211	Certificate of Analysis	Mar 30, 2023	O110088
K2118678	Certificate of Analysis	Mar 30, 2023	O110088
K2118683	Certificate of Analysis	Mar 30, 2023	O110088
K2119017	Certificate of Analysis	Mar 30, 2023	O110088
K2119018	Certificate of Analysis	Mar 30, 2023	O110088
C23241021	Certificate of Analysis	Mar 30, 2023	O110088
A1911073	Certificate of Analysis	Nov 11, 2022	O110088
G2214279	Certificate of Analysis	Jul 18, 2022	O110088
D2307369	Certificate of Analysis	Jul 18, 2022	O110088
G2214312	Certificate of Analysis	Jul 18, 2022	O110088
G2214319	Certificate of Analysis	Jul 18, 2022	O110088

Solubility	Solvent:DMSO, Max Conc. mg/mL: 9.13, Max Conc. mM: 20 with gentle warming
Specific Rotation[α]	76 ° (C=1, CHCl3)
Melt Point(°C)	300°C
Molecular Weight	456.700 g/mol
XLogP3	7.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	456.36 Da
Monoisotopic Mass	456.36 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	885.000
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

Oleanolic acid - Moligand™, ≥97% , Agonist of GPBA receptor, CAS No.508-02-1, Agonist of GPBA receptor

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

📚 Citations by Application

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