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SR 48692

CAT: 1410-M11989-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A potent, selective and orally active nonpeptide antagonist of the neurotensin receptor with IC50 of 0.99 nM.
CAS Number
146362-70-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
587.073
Molecular Formula
C32H31ClN4O5
Notes
Research use only, not for human use.
Receptor
Neurotensin Receptor

Chemical Information

Meclinertant

2-[[[1-(7-chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-3-pyrazolyl]-oxomethyl]amino]-2-adamantanecarboxylic acid is a N-acyl-amino acid.

CAS Number146362-70-1
PubChem CID119192
IUPAC Name2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
Molecular FormulaC32H31ClN4O5
Molecular Weight587.1
XLogP5.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity991
SMILES
COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=C4C=CC(=CC4=NC=C3)Cl)C(=O)NC5(C6CC7CC(C6)CC5C7)C(=O)O
InChI
InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)
InChIKey
DYLJVOXRWLXDIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Meclinertant
CAS: 146362-70-1
CID: 119192
Formula: C32H31ClN4O5
MW: 587.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.1
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass586.1982978
Monoisotopic Mass586.1982978
Topological Polar Surface Area116 Ų
Heavy Atom Count42
Formal Charge0
Complexity991
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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Alternative Products

CatalogName
MBS386923-01SR 48692
256747-01SR 48692 (Meclinertant)
A11770-10Meclinertant (SR 48692) 10mg
A11770-5Meclinertant (SR 48692) 5mg
A11770-25Meclinertant (SR 48692) 25mg
A11770-2Meclinertant (SR 48692) 2mg
A11770-100Meclinertant (SR 48692) 100mg
A11770-50Meclinertant (SR 48692) 50mg
A11770-1Meclinertant (SR 48692) 1mg

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