Ro 48-8071 - ≥98% , CAS No.189197-69-1

CAS: 189197-69-1 Cat. No.: R276229 Molecular Weight: 564.4
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
SCHEMBL4437311 | SR-05000001957 | Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]-, (2E)-2-butenedioate (1:1) | C27H31BrFNO6 | Ro-48-8071 fumarate | Ro48-8071 fumarate | EX-A532 | A14321 | (4-bromophenyl)-[2-fluoro-4
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
R276229-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$62.90

$94.90
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25mg
R276229-25mg
1

$105.90

$158.90
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50mg
R276229-50mg
1

$177.90

$266.90
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100mg
R276229-100mg
2

$301.90

$452.90
Save $151.00 (33.34%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C Ships Ice chest + Ice pads 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

An   benzofuranylallylamine compound that acts as a potent, active site targeting, competitive and reversible inhibitor of 2,3-oxidosqualene:lanosterol cyclase activity (OSC; IC50 ~6.5 nM against mammalian) and reduces cholesterol synthesis (IC50 ~1.5 nM in HepG2 cells) with minimal buildup of both dioxidosqualene and monooxidosqualene. Downregulates 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase mRNA and synthesis, and exerts less adverse effects in animal models than Statins. Shown to preferentially enhance the DNA-binding affinity of mutant p53 and arrest the growth of human breast cancer cells (IC50 ~10 µM).

Specifications

Synonyms
SCHEMBL4437311 | SR-05000001957 | Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]-, (2E)-2-butenedioate (1:1) | C27H31BrFNO6 | Ro-48-8071 fumarate | Ro48-8071 fumarate | EX-A532 | A14321 | (4-bromophenyl)-[2-fluoro-4
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Potent 2, 3-oxidosqualene cyclase (OSC) inhibitor (IC 50 = 6.5 nM). Displays lipid lowering activity. Active in vivo .
Storage
Protected from light, Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥98%
Names and Identifiers
Canonical SmilesCN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C.C(=CC(=O)O)C(=O)O
IUPAC Name(4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone;(E)-but-2-enedioic acid
InChIKeyXCYAYLWZCRGKDS-WLHGVMLRSA-N
INCHI1S/C23H27BrFNO2.C4H4O4/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18;5-3(6)1-2-4(7)8/h3,8-13,17H,1,4-7,14-16H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
Isomeric SMILES CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C.C(=C/C(=O)O)\C(=O)O
Alternate CAS 161582-11-2
Molecular Weight 564.4

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzophenones
Intermediate Tree Nodes Not available
Direct ParentBenzophenones
Alternative Parents Aryl-phenylketones  Diphenylmethanes  Benzoyl derivatives  Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Bromobenzenes  Fluorobenzenes  Aryl fluorides  Dicarboxylic acids and derivatives  Aryl bromides  Unsaturated fatty acids  Vinylogous halides  Trialkylamines  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Organobromides  Organofluorides  Organopnictogen compounds  
Molecular FrameworkNot available
Substituents Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - Phenol ether - Aryl ketone - Phenoxy compound - Bromobenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Aryl bromide - Aryl halide - Aryl fluoride - Vinylogous halide - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxylic acid derivative - Ether - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
LSS Tchem Lanosterol synthase (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
LSS Tchem Lanosterol synthase (305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR (348 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LN-18 (85 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LN-229 (376 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cricetinae gen. sp. (3197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CAS1 Cycloartenol synthase (31 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.

4 results found

Lot NumberCertificate TypeDateItem
F2205177Certificate of AnalysisMar 13, 2026 R276229
F2205182Certificate of AnalysisMar 13, 2026 R276229
F2205535Certificate of AnalysisMar 13, 2026 R276229
F2205547Certificate of AnalysisMar 13, 2026 R276229
Chemical and Physical Properties
SolubilitySoluble in water to 25 mM
SensitivitySensitive to light and humidity
Molecular Weight564.400 g/mol
XLogP3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass563.132 Da
Monoisotopic Mass563.132 Da
Topological Polar Surface Area104.000 Ų
Heavy Atom Count36
Formal Charge0
Complexity586.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count2
Citations of This Product
References
1. Yuxiang Hong, Yang Gu, Dewei Lin, Zizhao Wu, Wenhao Chen, Tianjian Lu, Pornpatsorn Lertphadungkit, Jingbo Ma, Haili Wang, Bo Zhou, Gil Bar-Sela, Idan Cohen, Peng Xu.  (2025)  De novo biosynthesis of cannabinoid and its analogs in Yarrowia lipolytica.  BioDesign Research,      [PMID:41416103] [10.1016/j.bidere.2025.100021]
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