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NTRC-824

CAT: 0931-T16358Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T16358Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1623002-61-8
Target
Others, Neurotensin Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
NTRC-824 is >150-fold selectivity for NTS2 over NTS1 (Ki >30 μM) . NTRC-824 is an effective, selective, and neurotensin-like nonpeptide neurotensin receptor type 2 (NTS2) antagonist (IC50: 38 nM and a Ki : 202 nM) .
Smiles
CC(C)C[C@H](NC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12)C(O)=O
Molecular Formula
C25H26F3N3O6S
Molecular Weight
553.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2-(5-((4-Methylphenyl)sulfonamido)-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl)acetyl)-L-leucine
CAS Number1623002-61-8
PubChem CID101873359
IUPAC Name(2S)-4-methyl-2-[[2-[5-[(4-methylphenyl)sulfonylamino]-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]amino]pentanoic acid
Molecular FormulaC25H26F3N3O6S
Molecular Weight553.6
XLogP4.5
Topological Polar Surface Area143
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity976
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C=C3C(=O)C(F)(F)F)CC(=O)N[C@@H](CC(C)C)C(=O)O
InChI
InChI=1S/C25H26F3N3O6S/c1-14(2)10-20(24(34)35)29-22(32)13-31-12-19(23(33)25(26,27)28)18-11-16(6-9-21(18)31)30-38(36,37)17-7-4-15(3)5-8-17/h4-9,11-12,14,20,30H,10,13H2,1-3H3,(H,29,32)(H,34,35)/t20-/m0/s1
InChIKey
SOOLLEBJNGCDOZ-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (2-(5-((4-Methylphenyl)sulfonamido)-3-(2,2,2-trifluoroacetyl)-1H-indol-1-yl)acetyl)-L-leucine
CAS: 1623002-61-8
CID: 101873359
Formula: C25H26F3N3O6S
MW: 553.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.6
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass553.14944122
Monoisotopic Mass553.14944122
Topological Polar Surface Area143 Ų
Heavy Atom Count38
Formal Charge0
Complexity976
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

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