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GLP-1R agonist 19

CAT: 0013-GTR19235322-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235322-01Size:50 mg
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Description
M3190 is a potent and selective GLP-1 receptor agonist characterized by high plasma and liver microsomal stability and a low risk of hERG channel inhibition. It is a valuable research tool for investigating metabolic diseases, such as type 2 diabetes and obesity, in both in vitro and in vivo experimental models.
CAS Number
2765065-09-4
Field of Research
Pharmacology & Drug Discovery
Smiles
C (C) C1=C (C=CC (OCCCCN2C=C (COCCOCCOCCOCCOCCOCCOCCOCCN) N=N2) =C1) C3=CC=C (C[C@H] (NC ([C@@H] (NC ([C@@H] (NC ([C@@H] (NC ([C@] (CC4=C (F) C=CC=C4) (NC ([C@@H] (NC (CNC ([C@H] (CC=5NN=NN5) NC (C (C (NCCC6=CN=CN6) =O) (C) C) =O) =O) =O) [C@@H] (C) O) =O) C) =O) [C@@H] (C) O) =O) CO) =O) CC (O) =O) =O) C (N[C@@H] (CCCC7=CC (C) =CC (C) =C7) C (N) =O) =O) C=C3
Molecular Formula
C94H136FN21O25
Molecular Weight
1979.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S)-4-[[(2S)-1-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[(2S)-2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CAS Number2765065-09-4
PubChem CID172653065
IUPAC Name(3S)-4-[[(2S)-1-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[(2S)-2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC94H136FN21O25
Molecular Weight1979.2
XLogP-2.5
Topological Polar Surface Area655
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count33
Rotatable Bond Count71
Heavy Atom Count141
Formal Charge0
Complexity3720
SMILES
CCC1=C(C=CC(=C1)OCCCCN2C=C(N=N2)COCCOCCOCCOCCOCCOCCOCCOCCN)C3=CC=C(C=C3)C[C@@H](C(=O)N[C@@H](CCCC4=CC(=CC(=C4)C)C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@](C)(CC5=CC=CC=C5F)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC6=NN=NN6)NC(=O)C(C)(C)C(=O)NCCC7=CN=CN7
InChI
InChI=1S/C94H136FN21O25/c1-9-65-49-70(141-29-13-12-28-116-55-69(110-115-116)57-140-44-43-139-42-41-138-40-39-137-38-37-136-36-35-135-34-33-134-32-31-133-30-26-96)23-24-71(65)66-21-19-63(20-22-66)48-74(85(125)102-73(83(97)123)18-14-15-64-46-59(2)45-60(3)47-64)103-86(126)76(51-80(121)122)104-87(127)77(56-117)105-88(128)81(61(4)118)108-92(132)94(8,52-67-16-10-11-17-72(67)95)109-89(129)82(62(5)119)107-79(120)54-100-84(124)75(50-78-111-113-114-112-78)106-91(131)93(6,7)90(130)99-27-25-68-53-98-58-101-68/h10-11,16-17,19-24,45-47,49,53,55,58,61-62,73-77,81-82,117-119H,9,12-15,18,25-44,48,50-52,54,56-57,96H2,1-8H3,(H2,97,123)(H,98,101)(H,99,130)(H,100,124)(H,102,125)(H,103,126)(H,104,127)(H,105,128)(H,106,131)(H,107,120)(H,108,132)(H,109,129)(H,121,122)(H,111,112,113,114)/t61-,62-,73+,74+,75+,76+,77+,81+,82+,94+/m1/s1
InChIKey
URZJTJFWQSLBQI-CQELQHIGSA-N
Chemical Structure
2D Structure
2D structure of (3S)-4-[[(2S)-1-[[(2S)-1-amino-5-(3,5-dimethylphenyl)-1-oxopentan-2-yl]amino]-3-[4-[4-[4-[4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butoxy]-2-ethylphenyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-3-(2-fluorophenyl)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[(2S)-2-[[3-[2-(1H-imidazol-5-yl)ethylamino]-2,2-dimethyl-3-oxopropanoyl]amino]-3-(1H-tetrazol-5-yl)propanoyl]amino]acetyl]amino]butanoyl]amino]-2-methylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CAS: 2765065-09-4
CID: 172653065
Formula: C94H136FN21O25
MW: 1979.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1979.2
XLogP3-2.5
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count33
Rotatable Bond Count71
Exact Mass1979.00338191
Monoisotopic Mass1978.00002707
Topological Polar Surface Area655 Ų
Heavy Atom Count141
Formal Charge0
Complexity3720
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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