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GLP-1R agonist 35

CAT: 0013-GTR19273835-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273835-01Size:50 mg
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Description
GLP-1R agonist 35 (Compound 111-2) is a GLP-1R agonist with an EC50 of 0-10 nM. It is useful for research in diabetes and obesity.
CAS Number
3092875-81-2
Smiles
C[C@@H]1[C@] (C1) (N2C (C (=O) N3CC4 (C=5C ([C@@H]3C) =C6N (N5) C=7C=C (C (F) =C (C) C7) CCCOC=8C ([N@]9C (=O) [N@@]6C=C9) =CC=C%10C8C=NN%10C) CC4) =CC=%11C2=CC=C (C%11) [C@@H]%12CC (C) (C) OCC%12) C%13=NOC (=O) N%13
Molecular Formula
C52H53FN10O6
Molecular Weight
933.06
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(8S)-7-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-29-fluoro-8,19,30-trimethylspiro[24-oxa-2,3,7,11,14,19,20-heptazaheptacyclo[26.3.1.111,14.02,10.04,9.015,23.018,22]tritriaconta-1(32),3,9,12,15(23),16,18(22),20,28,30-decaene-5,1'-cyclopropane]-33-one
CAS Number3092875-81-2
PubChem CID178421105
IUPAC Name(8S)-7-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-29-fluoro-8,19,30-trimethylspiro[24-oxa-2,3,7,11,14,19,20-heptazaheptacyclo[26.3.1.111,14.02,10.04,9.015,23.018,22]tritriaconta-1(32),3,9,12,15(23),16,18(22),20,28,30-decaene-5,1'-cyclopropane]-33-one
Molecular FormulaC52H53FN10O6
Molecular Weight933.0
XLogP7
Topological Polar Surface Area154
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count69
Formal Charge0
Complexity2140
SMILES
C[C@H]1C[C@]1(C2=NOC(=O)N2)N3C4=C(C=C(C=C4)[C@H]5CCOC(C5)(C)C)C=C3C(=O)N6CC7(CC7)C8=NN9C1=CC(=C(C(=C1)C)F)CCCOC1=C(C=CC2=C1C=NN2C)N1C=CN(C9=C8[C@@H]6C)C1=O
InChI
InChI=1S/C52H53FN10O6/c1-28-20-35-22-32(42(28)53)8-7-18-67-43-36-26-54-58(6)38(36)11-12-39(43)59-16-17-60(49(59)66)45-41-30(3)61(27-51(14-15-51)44(41)56-63(35)45)46(64)40-23-34-21-31(33-13-19-68-50(4,5)25-33)9-10-37(34)62(40)52(24-29(52)2)47-55-48(65)69-57-47/h9-12,16-17,20-23,26,29-30,33H,7-8,13-15,18-19,24-25,27H2,1-6H3,(H,55,57,65)/t29-,30-,33-,52-/m0/s1
InChIKey
NXJLOHGKUHEAIN-DKMCMMDTSA-N
Chemical Structure
2D Structure
2D structure of (8S)-7-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-29-fluoro-8,19,30-trimethylspiro[24-oxa-2,3,7,11,14,19,20-heptazaheptacyclo[26.3.1.111,14.02,10.04,9.015,23.018,22]tritriaconta-1(32),3,9,12,15(23),16,18(22),20,28,30-decaene-5,1'-cyclopropane]-33-one
CAS: 3092875-81-2
CID: 178421105
Formula: C52H53FN10O6
MW: 933.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight933.0
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass932.41335761
Monoisotopic Mass932.41335761
Topological Polar Surface Area154 Ų
Heavy Atom Count69
Formal Charge0
Complexity2140
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes