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BMS-986118

CAT: 0931-T26868-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26868-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1610562-74-7
Target
Others, GPCR
Related Pathways
Endocrinology/Hormones, Others, GPCR/G Protein
Bioactivity
BMS-986118 is a full agonist of GPR40, is a G-protein-coupled receptor expressed primarily in pancreatic islets and intestinal L-cells that has been a target of significant recent therapeutic interest for type II diabetes. Activation of GPR40 by partial agonists elicits insulin secretion only in the presence of elevated blood glucose levels, minimizing the risk of hypoglycemia.
Smiles
C(C(O)=O)[C@@H]1N(N=C(C(F)(F)F)[C@H]1C)C2=CC=C(O[C@H]3[C@H](C)CN(CC3)C=4C=C(OC)N=CC4Cl)C=C2
Molecular Formula
C25H28ClF3N4O4
Molecular Weight
540.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bms-986118

Dihydropyrazole GPR40 Agonist

CAS Number1610562-74-7
PubChem CID76900387
IUPAC Name2-[(3S,4S)-2-[4-[(3R,4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid
Molecular FormulaC25H28ClF3N4O4
Molecular Weight541.0
XLogP5.7
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity826
SMILES
C[C@@H]1CN(CC[C@H]1OC2=CC=C(C=C2)N3[C@H]([C@@H](C(=N3)C(F)(F)F)C)CC(=O)O)C4=CC(=NC=C4Cl)OC
InChI
InChI=1S/C25H28ClF3N4O4/c1-14-13-32(20-10-22(36-3)30-12-18(20)26)9-8-21(14)37-17-6-4-16(5-7-17)33-19(11-23(34)35)15(2)24(31-33)25(27,28)29/h4-7,10,12,14-15,19,21H,8-9,11,13H2,1-3H3,(H,34,35)/t14-,15+,19+,21-/m1/s1
InChIKey
GKIUHMMLGAMMOO-OITFXXTJSA-N
Chemical Structure
2D Structure
2D structure of Bms-986118
CAS: 1610562-74-7
CID: 76900387
Formula: C25H28ClF3N4O4
MW: 541.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.0
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass540.1751176
Monoisotopic Mass540.1751176
Topological Polar Surface Area87.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity826
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

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