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SNAP 94847 (hydrochloride)

CAT: 0804-HY-107625A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107625A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SNAP 94847 hydrochloride is a novel, high affinity selective melanin-concentrating hormonereceptor1 (MCHR1) antagonist with (Ki= 2.2 nM, Kd=530 pM), it displays >80-fold and >500-fold selectivity over MCHα1A and MCHD2 receptors respectively. SNAP 94847 hydrochloride binds with high affinity to the mouse and rat MCHR1 with minimal cross-reactivity to other GPCR, ion channels, enzymes, and transporters[1][3].
CAS Number
1781934-47-1
UNSPSC
12352005
Target
MCHR1 (GPR24)
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/snap-94847-hydrochloride.html
Purity
99.90
Solubility
DMSO : 250 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
Cl[H].FC1=CC(OC(C=C2)=CC=C2CN3CCC(CC3)C4=CC(NC(C(C)C)=O)=CC=C4C)=CC=C1F
Molecular Formula
C29H33ClF2N2O2
Molecular Weight
515.03
References & Citations
[1]David DJ, et al. Efficacy of the MCHR1 antagonist N-[3- (1-{[4- (3,4-difluorophenoxy) phenyl]methyl} (4-piperidyl) ) -4-methylphenyl]-2-methylpropanamide (SNAP 94847) in mouse models of anxiety and depression following acute and chronic administration is independent of hippocampal neurogenesis. J Pharmacol Exp Ther. 2007 Apr;321 (1) :237-48. Epub 2007 Jan 19.|[2]Nair SG, et al. Effects of the MCH1 receptor antagonist SNAP 94847 on high-fat food-reinforced operant responding and reinstatement of food seeking in rats.Psychopharmacology (Berl) . 2009 Jul;205 (1) :129-40.|[3]Chen CA, et al. Synthesis and SAR investigations for novel melanin-concentrating hormone 1 receptor (MCH1) antagonists part 2: A hybrid strategy combining key fragments of HTS hits.J Med Chem. 2007 Aug 9;50 (16) :3883-90.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

SNAP 94847 hydrochloride
CAS Number1781934-47-1
PubChem CID56972235
IUPAC NameN-[3-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide;hydrochloride
Molecular FormulaC29H33ClF2N2O2
Molecular Weight515.0
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity661
SMILES
CC1=C(C=C(C=C1)NC(=O)C(C)C)C2CCN(CC2)CC3=CC=C(C=C3)OC4=CC(=C(C=C4)F)F.Cl
InChI
InChI=1S/C29H32F2N2O2.ClH/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25;/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34);1H
InChIKey
DEDUDFNRQKUBRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SNAP 94847 hydrochloride
CAS: 1781934-47-1
CID: 56972235
Formula: C29H33ClF2N2O2
MW: 515.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass514.2198623
Monoisotopic Mass514.2198623
Topological Polar Surface Area41.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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