Products for Research Use Only

SR-12062

CAT: 0013-GTR19241706-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241706-01Size:50 mg
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Description
SR-12062 is a potent and efficacious full agonist of neurotensin receptor 1 (NTSR1), with an EC50 of 2 μM and 100% maximal efficacy. It exhibits about 90-fold greater potency than its parent compound. This molecule is a valuable research tool for investigating NTSR1 signaling in both cellular and animal models of central nervous system disorders.
CAS Number
1623019-77-1
Smiles
C (C (N[C@@H] (CC (C) C) C (O) =O) =O) N1C=2C (=CC (=CC2) C3=CC4=C (N=C3) C=CC=C4) C=C1
Molecular Formula
C25H25N3O3
Molecular Weight
415.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-4-methyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]pentanoic acid
CAS Number1623019-77-1
PubChem CID118708030
IUPAC Name(2S)-4-methyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]pentanoic acid
Molecular FormulaC25H25N3O3
Molecular Weight415.5
XLogP4.7
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity640
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)CN1C=CC2=C1C=CC(=C2)C3=CC4=CC=CC=C4N=C3
InChI
InChI=1S/C25H25N3O3/c1-16(2)11-22(25(30)31)27-24(29)15-28-10-9-19-12-17(7-8-23(19)28)20-13-18-5-3-4-6-21(18)26-14-20/h3-10,12-14,16,22H,11,15H2,1-2H3,(H,27,29)(H,30,31)/t22-/m0/s1
InChIKey
FPIZUBHJQMKCPU-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of (2S)-4-methyl-2-[[2-(5-quinolin-3-ylindol-1-yl)acetyl]amino]pentanoic acid
CAS: 1623019-77-1
CID: 118708030
Formula: C25H25N3O3
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass415.18959167
Monoisotopic Mass415.18959167
Topological Polar Surface Area84.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes