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BMS-986121

CAT: 0804-HY-141515-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-141515-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-986121 is a positive allosteric modulator (PAM) of the μ opioid receptor extracted from patent WO2014107344. BMS-986121 is built on a chemical scaffold representing a new chemotype for μ receptor PAMs[1][2][3].
CAS Number
313671-26-0
UNSPSC
12352005
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/bms-986121.html
Concentration
10mM
Purity
99.96
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=[N+](C1=CC=C(C2=CSC(NC3=C(Cl)C=CC=C3Cl)=N2)C=C1)[O-]
Molecular Formula
C15H9Cl2N3O2S
Molecular Weight
366.22
References & Citations
[1]Burford NT, et al. Discovery of positive allosteric modulators and silent allosteric modulators of the μ-opioid receptor. Proc Natl Acad Sci U S A. 2013;110 (26) :10830-10835.|[2]WO2014107344|[3]Bisignano P, et al. Ligand-Based Discovery of a New Scaffold for Allosteric Modulation of the μ-Opioid Receptor. J Chem Inf Model. 2015;55 (9) :1836-1843.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
μ Opioid Receptor/MOR

Chemical Information

N-(2,6-dichlorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine

See also: Bms-986121 (annotation moved to).

CAS Number313671-26-0
PubChem CID2323217
IUPAC NameN-(2,6-dichlorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
Molecular FormulaC15H9Cl2N3O2S
Molecular Weight366.2
XLogP5.6
Topological Polar Surface Area99
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity408
SMILES
C1=CC(=C(C(=C1)Cl)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H9Cl2N3O2S/c16-11-2-1-3-12(17)14(11)19-15-18-13(8-23-15)9-4-6-10(7-5-9)20(21)22/h1-8H,(H,18,19)
InChIKey
AOCLKIVPDLQCOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,6-dichlorophenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CAS: 313671-26-0
CID: 2323217
Formula: C15H9Cl2N3O2S
MW: 366.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.2
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass364.9792531
Monoisotopic Mass364.9792531
Topological Polar Surface Area99 Ų
Heavy Atom Count23
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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