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TT-OAD2

CAT: 0931-T13218-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T13218-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2382719-60-8
Target
Others, Glucagon Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
TT-OAD2 is a non-peptide agonist of the glucagon-like peptide-1 (GLP-1) receptor (EC50: 5 nM), with potential for diabetes treatment.
Smiles
CC[C@@H](C1=CC=CC=C1)N2[C@@H](CC3=CC(OC[C@@](C4=CC=C(C=C4)OCC5=CC(Cl)=C(C=C5)Cl)([H])O6)=C6C=C3C2)C(N[C@H](C(O)=O)CC7=CC=C(C8=CC=NC(C)=C8C)C=C7)=O.Cl.Cl
Molecular Formula
C50H49Cl4N3O6
Molecular Weight
929.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TT-Oad2
CAS Number2382719-60-8
PubChem CID146026066
IUPAC Name(2S)-2-[[(3S,8S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-[(1S)-1-phenylpropyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid;dihydrochloride
Molecular FormulaC50H49Cl4N3O6
Molecular Weight929.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count63
Formal Charge0
Complexity1400
SMILES
CC[C@@H](C1=CC=CC=C1)N2CC3=CC4=C(C=C3C[C@H]2C(=O)N[C@@H](CC5=CC=C(C=C5)C6=C(C(=NC=C6)C)C)C(=O)O)OC[C@@H](O4)C7=CC=C(C=C7)OCC8=CC(=C(C=C8)Cl)Cl.Cl.Cl
InChI
InChI=1S/C50H47Cl2N3O6.2ClH/c1-4-44(35-8-6-5-7-9-35)55-27-38-26-47-46(60-29-48(61-47)36-15-17-39(18-16-36)59-28-33-12-19-41(51)42(52)22-33)25-37(38)24-45(55)49(56)54-43(50(57)58)23-32-10-13-34(14-11-32)40-20-21-53-31(3)30(40)2;;/h5-22,25-26,43-45,48H,4,23-24,27-29H2,1-3H3,(H,54,56)(H,57,58);2*1H/t43-,44-,45-,48+;;/m0../s1
InChIKey
JCHUZLPPFLKGNX-PLFFULENSA-N
Chemical Structure
2D Structure
2D structure of TT-Oad2
CAS: 2382719-60-8
CID: 146026066
Formula: C50H49Cl4N3O6
MW: 929.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight929.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass929.234597
Monoisotopic Mass927.237547
Topological Polar Surface Area110 Ų
Heavy Atom Count63
Formal Charge0
Complexity1400
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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