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GPCR modulator-1

CAT: 0804-HY-124803-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124803-02Size:5 mg
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Description
GPCR modulator-1 is a negative allosteric modulator of GLP receptor. GPCR modulator-1 has the potential for type 2 diabetes research[1].
CAS Number
1407592-99-7
UNSPSC
12352005
Target
GCGR
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/gpcr-modulator-1.html
Solubility
10 mM in DMSO
Smiles
O=C(O)CCNC(C1=CC=C([C@@H](C2CC(C)(C)C2)NC3=CC=C(N4C=C(C(F)(F)F)N=C4)N=C3)C=C1)=O
Molecular Formula
C26H28F3N5O3
Molecular Weight
515.53
References & Citations
[1]Gaojie Song, et al. Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators. Nature. 2017 Jun 8;546 (7657) :312-315.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PF-06372222

a negative allosteric modulator of glucagon receptor; structure in first source

CAS Number1407592-99-7
PubChem CID68178630
IUPAC Name3-[[4-[(R)-(3,3-dimethylcyclobutyl)-[[6-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]amino]methyl]benzoyl]amino]propanoic acid
Molecular FormulaC26H28F3N5O3
Molecular Weight515.5
XLogP4.1
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity795
SMILES
CC1(CC(C1)[C@H](C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC3=CN=C(C=C3)N4C=C(N=C4)C(F)(F)F)C
InChI
InChI=1S/C26H28F3N5O3/c1-25(2)11-18(12-25)23(16-3-5-17(6-4-16)24(37)30-10-9-22(35)36)33-19-7-8-21(31-13-19)34-14-20(32-15-34)26(27,28)29/h3-8,13-15,18,23,33H,9-12H2,1-2H3,(H,30,37)(H,35,36)/t23-/m0/s1
InChIKey
MYZIDYJMNWEJMC-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of PF-06372222
CAS: 1407592-99-7
CID: 68178630
Formula: C26H28F3N5O3
MW: 515.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass515.21442426
Monoisotopic Mass515.21442426
Topological Polar Surface Area109 Ų
Heavy Atom Count37
Formal Charge0
Complexity795
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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