Basic Description

Synonyms	GTPL1701 \| 1-(2,4-dibromophenyl)-3-[(4s,5s)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea \| AKOS024458089 \| NCGC00379105-01 \| CS-0002875 \| JNJ 10397049 \| 3-(2,4-dibromophenyl)-1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea \| Urea, N-(2,4-dibromophenyl
Specifications & Purity	Moligand™, ≥99%(HPLC)
Biochemical and Physiological Mechanisms	Selective OX2receptor antagonist (pIC50= 7.4 for chimeric OX2receptors; pKBvalues are 5.9 and 8.5 for OX1and OX2receptors respectively). Shows no significant activity in a panel of over 50 other neurotransmitters and neuropeptide receptors. Achieves high
Storage Temp	Store at 2-8°C
Shipped In	Wet ice
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of OX 1 receptor;Antagonist of OX 2 receptor

Associated Targets(Human)

HCRTR1 Tclin Orexin receptor type 1 (1 Activities)

Discover Target: HCRTR1

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

HCRTR2 Tclin Orexin receptor type 2 (3 Activities)

Discover Target: HCRTR2

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

OPRK1 Tclin Kappa opioid receptor (16155 Activities)

Discover Target: OPRK1

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

HCRTR1 Tclin Orexin receptor 1 (5435 Activities)

Discover Target: HCRTR1

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

TACR3 Tchem Neurokinin 3 receptor (1696 Activities)

Discover Target: TACR3

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

HCRTR2 Tclin Orexin receptor 2 (5902 Activities)

Discover Target: HCRTR2

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

Associated Targets(non-human)

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

Discover Target: Npy1r

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-(2,4-dibromophenyl)-3-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea
INCHI	InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
InChi Key	RBKIJGLHFFQHBE-IRXDYDNUSA-N
Canonical SMILES	CC1(OCC(C(O1)C2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)Br)Br)C
Isomeric SMILES	CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)Br)Br)C
PubChem CID	9869934
Molecular Weight	484.18

Database links

PubChem CID	9869934
ChEMBL Ligand	CHEMBL359632
CAS Registry No.	708275-58-5
GPCRdb Ligand	JNJ-10397049

Certificates

Certificate of Analysis(COA)

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Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: None, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: None, Max Conc. mM: 100

References

1. McAtee LC, Sutton SW, Rudolph DA, Li X, Aluisio LE, Phuong VK, Dvorak CA, Lovenberg TW, Carruthers NI, Jones TK. (2004) Novel substituted 4-phenyl-[1,3]dioxanes: potent and selective orexin receptor 2 (OX(2)R) antagonists.. Bioorg Med Chem Lett, 14 (16): (4225-9). [PMID:15261275]

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SKU	Size	Availability	Price	Qty
J286949-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$216.90
J286949-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$761.90

JNJ 10397049 - ≥99%(HPLC), high purity , CAS No.708275-58-5, Antagonist of OX 1 receptor;Antagonist of OX 2 receptor