Cintirorgon (LYC-55716) - Moligand™, ≥98% , Agonist of RAR-related orphan receptor-γ, CAS No.2055536-64-4, Agonist of RAR-related orphan receptor-γ

CAS: 2055536-64-4 Cat. No.: C414227 Molecular Weight: 603.53
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%
Synonyms
HY-104037 | CINTIRORGON [WHO-DD] | MS-30640 | Cintirorgon [INN] | WLN: ER DYR&O2N1&1 &GH | LYC-55716 | A16863 | BCP28882 | Cintirorgon | 2055536-64-4 | LPN433P0EA | Z57459594 | 3-((2S)-6-(3-(Difluoromethoxy)-5-fluorophenyl)-4-((3-(trifluoromethyl)phenyl)s
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
C414227-5mg
2
$81.90
10mg
C414227-10mg
2
$114.90
25mg
C414227-25mg
2
$194.90
50mg
C414227-50mg
2
$310.90
100mg
C414227-100mg
1
$497.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% 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.

Overview

Information

Cintirorgon (LYC-55716) Cintirorgon (LYC-55716) is a selective, first-in-class, oral, small-molecule investigational agent that selectively activates RORγ .


Targets

RORγ

Specifications

Synonyms
HY-104037 | CINTIRORGON [WHO-DD] | MS-30640 | Cintirorgon [INN] | WLN: ER DYR&O2N1&1 &GH | LYC-55716 | A16863 | BCP28882 | Cintirorgon | 2055536-64-4 | LPN433P0EA | Z57459594 | 3-((2S)-6-(3-(Difluoromethoxy)-5-fluorophenyl)-4-((3-(trifluoromethyl)phenyl)s
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Cintirorgon (LYC-55716) is a selective, first-in-class, oral, small-molecule investigational agent that selectively activates RORγ.
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
Mechanism of action
Agonist of RAR-related orphan receptor-γ
Purity
≥98%
Names and Identifiers
Canonical SmilesCC(C)(CC1CN(C2=C(O1)C=CC(=C2)C3=CC(=CC(=C3)F)OC(F)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O
IUPAC Name3-[(2S)-6-[3-(difluoromethoxy)-5-fluorophenyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-2,2-dimethylpropanoic acid
InChIKeyGULSIMHVQYBADX-FQEVSTJZSA-N
INCHI1S/C27H23F6NO6S/c1-26(2,24(35)36)13-20-14-34(41(37,38)21-5-3-4-17(11-21)27(31,32)33)22-10-15(6-7-23(22)39-20)16-8-18(28)12-19(9-16)40-25(29)30/h3-12,20,25H,13-14H2,1-2H3,(H,35,36)/t20-/m0/s1
Isomeric SMILES CC(C)(C[C@H]1CN(C2=C(O1)C=CC(=C2)C3=CC(=CC(=C3)F)OC(F)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O
Alternate CAS 2055536-64-4
MeSH Entry Terms 2H-1,4-Benzoxazine-2-propanoic acid, 6-(3-(difluoromethoxy)-5-fluorophenyl)-3,4-dihydro-alpha,alpha-dimethyl-4-((3-(trifluoromethyl)phenyl)sulfonyl)-, (2S)-;3-((2S)-6-(3-(Difluoromethoxy)-5-fluorophenyl)-4-((3-(trifluoromethyl)phenyl)sulfonyl)-3,4-dihydro
Molecular Weight 603.53
Reaxy-Rn 41622504
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41622504&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
SuperclassOrganoheterocyclic compounds
ClassBenzoxazines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzoxazines
Alternative Parents Trifluoromethylbenzenes  Benzomorpholines  Benzenesulfonamides  Benzenesulfonyl compounds  Phenoxy compounds  Phenol ethers  Fluorobenzenes  Alkyl aryl ethers  Organosulfonamides  Aryl fluorides  Sulfonyls  Oxacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Trifluoromethylbenzene - Benzoxazine - Benzomorpholine - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Halobenzene - Fluorobenzene - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Oxazinane - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
RORC Tchem Nuclear receptor ROR-gamma (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1I2 Tchem Pregnane X receptor (6667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RORA Tchem Nuclear receptor ROR-alpha (562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RORB Tchem Nuclear receptor ROR-beta (600 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
MC-38 (857 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
4T1 (1737 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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.

10 results found

Lot NumberCertificate TypeDateItem
B2402304Certificate of AnalysisDec 27, 2023 C414227
B2402305Certificate of AnalysisDec 27, 2023 C414227
B2402310Certificate of AnalysisDec 27, 2023 C414227
B2402311Certificate of AnalysisDec 27, 2023 C414227
B2402312Certificate of AnalysisDec 27, 2023 C414227
B2402313Certificate of AnalysisDec 27, 2023 C414227
B2402314Certificate of AnalysisDec 27, 2023 C414227
B2402315Certificate of AnalysisDec 27, 2023 C414227
B2402321Certificate of AnalysisDec 27, 2023 C414227
B2402322Certificate of AnalysisDec 27, 2023 C414227
Chemical and Physical Properties
SolubilitySolubility (25°C) In vitro DMSO: 100 mg/mL (165.69 mM); Ethanol: 100 mg/mL (165.69 mM); Water: Insoluble;
Molecular Weight603.500 g/mol
XLogP36.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass603.115 Da
Monoisotopic Mass603.115 Da
Topological Polar Surface Area102.000 Ų
Heavy Atom Count41
Formal Charge0
Complexity1020.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
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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