cintirorgon - Moligand™ , Agonist of RAR-related orphan receptor-γ, CAS No.1227156-72-0, Agonist of RAR-related orphan receptor-γ

CAS: 1227156-72-0 Cat. No.: C608568 PubChem CID: 124126348
Disponibile su ordine
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.
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
Room temperature
Size
Germania (EU)
USA*
Price
Qty
5mg
C608568-5mg
Su ordinazione · 8–12 settimane

991,74€

1.158,34€
Salva 166,61 € (14.38%)
25mg
C608568-25mg
Su ordinazione · 8–12 settimane
1.389,16€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Sinonimi
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
Specifiche e purezza
Moligand™
Condizioni di conservazione di stoccaggio
Room temperature
Grado
Moligand™
Tipo di azione
AGONIST
Meccanismo d'azione
Agonist of RAR-related orphan receptor-γ
Nomi e identificatori
Sorrisi canoniciFC(Oc1cc(F)cc(c1)c1ccc2c(c1)N(C[C@@H](O2)CC(C(=O)O)(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F)F
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
Isomeri 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
PubChem CID 124126348

Documentazione

📋 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
ClasseBenzoxazines
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
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
RORC Tchem Nuclear receptor ROR-gamma (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PARP1 Tclin Poly [ADP-ribose] polymerase 1 (0 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
Obiettivi associati (non umani)
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
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare603.500 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
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1227156-72-0. InChIKey GULSIMHVQYBADX-FQEVSTJZSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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