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SR 48692

CAT: 0607-B7484-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-B7484-1Size:1 mg
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Description
nonpeptide neurotensin antagonist
CAS Number
146362-70-1
Product Name Alternative
(1R,2R,3R,5S,7S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-1H-pyrazole-3-carboxamido)adamantane-2-carboxylic acid
Field of Research
GPCR G protein Neurotensin Receptors
Purity
0.98
Form
White solid
Solubility
Soluble in DMSO
Smiles
ClC1=CC=C2C(N3N=C(C=C3C(C(OC)=CC=C4)=C4OC)C(N[C@]5(C(O)=O)[C@H]6C[C@H]7C[C@H]5C[C@H](C7)C6)=O)=CC=NC2=C1
Molecular Formula
C32H31ClN4O5
Molecular Weight
587.07
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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MBS386923-01SR 48692
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A11770-10Meclinertant (SR 48692) 10mg
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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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