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SR142948A

CAT: 0931-T28845-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28845-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
184162-21-8
Target
Others, Neurotensin Receptor, Neuropeptide Y Receptor
Related Pathways
Others, Neuroscience, GPCR/G Protein
Bioactivity
SR142948A is a selective and reversible non-peptide neurotensin receptor antagonist capable of blocking hypothermia and analgesic effects induced by intracerebroventricular injection of NT, and capable of concentration- and volume-dependent blockade of NMDA-induced dopamine release.
Smiles
Cl.O=C(O)C1(NC(=O)C2=NN(C3=CC=C(C=C3C(C)C)C(=O)N(C)CCCN(C)C)C(=C2)C=4C(OC)=CC=CC4OC)C5CC6CC(C5)CC1C6
Molecular Formula
C39H52ClN5O6
Molecular Weight
722.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(5-(2,6-Dimethoxyphenyl)-1-(4-((3-(dimethylamino)propyl)(methyl)carbamoyl)-2-isopropylphenyl)-1H-pyrazole-3-carboxamido)adamantane-2-carboxylic acid hydrochloride
CAS Number184162-21-8
PubChem CID9940110
IUPAC Name2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid;hydrochloride
Molecular FormulaC39H52ClN5O6
Molecular Weight722.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count51
Formal Charge0
Complexity1170
SMILES
CC(C)C1=C(C=CC(=C1)C(=O)N(C)CCCN(C)C)N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OC.Cl
InChI
InChI=1S/C39H51N5O6.ClH/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24;/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48);1H
InChIKey
CUYNEHGBVHUQQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-(2,6-Dimethoxyphenyl)-1-(4-((3-(dimethylamino)propyl)(methyl)carbamoyl)-2-isopropylphenyl)-1H-pyrazole-3-carboxamido)adamantane-2-carboxylic acid hydrochloride
CAS: 184162-21-8
CID: 9940110
Formula: C39H52ClN5O6
MW: 722.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight722.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass721.3606121
Monoisotopic Mass721.3606121
Topological Polar Surface Area126 Ų
Heavy Atom Count51
Formal Charge0
Complexity1170
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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