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- 1 g
- Purity
- 98%
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CAS Number: 459789-99-2
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CAS Number
459789-99-2
PubChem CID
447715
Molecular Formula
C26H44O4
Molecular Weight
420.6 g/mol
Exact Mass
420.32396
InChIKey
ZXERDUOLZKYMJM-ZWECCWDJSA-N
IUPAC Name
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SMILES String
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O
pKa
4.76
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Obeticholic Acid (CAS 459789-99-2) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C26H44O4 and molecular weight 420. 60 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Bile acid receptor (Homo sapiens) — 65 assays; G-protein coupled bile acid receptor 1 (Homo sapiens) — 16 assays; G-protein coupled bile acid receptor 1 (Mus musculus) — 2 assays; Alpha-1A adrenergic receptor (Homo sapiens) — 4 assays; Alpha-2A adrenergic receptor (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Bile acid receptor
Homo sapiens · SINGLE PROTEIN · 65 qualifying assays · 34 documents · best pChEMBL 8
Experimental evidence source: ChEMBL
G-protein coupled bile acid receptor 1
Homo sapiens · SINGLE PROTEIN · 16 qualifying assays · 10 documents · best pChEMBL 7.62
Experimental evidence source: ChEMBL
G-protein coupled bile acid receptor 1
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.24
Experimental evidence source: ChEMBL
Alpha-1A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 1 documents · best pChEMBL 5.2
Experimental evidence source: ChEMBL
Alpha-2A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.96
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Obeticholic Acid is identified by CAS 459789-99-2, with molecular formula C26H44O4, molecular weight 420.6, InChIKey ZXERDUOLZKYMJM-ZWECCWDJSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Bile acid receptor, G-protein coupled bile acid receptor 1, G-protein coupled bile acid receptor 1, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
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