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Details

Stereochemistry ABSOLUTE
Molecular Formula C75H94FN15O19
Molecular Weight 1528.6364
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-686117

SMILES

CCC1=CC(OC)=CC=C1C2=CC=C(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@](C)(CC3=CC=CC=C3F)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)CC4=CN=CN4)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC5=CC=C(N=C5)C6=CC=CC=C6C)C(N)=O)C=C2

InChI

InChIKey=ZLVRQSAYTXYDPX-VGLKCPPXSA-N
InChI=1S/C75H94FN15O19/c1-9-44-30-48(110-8)23-24-50(44)45-21-18-42(19-22-45)28-56(67(103)83-55(64(78)100)29-43-20-25-53(80-34-43)49-16-12-10-14-39(49)2)84-68(104)57(32-61(98)99)85-69(105)58(37-92)86-70(106)62(40(3)93)89-73(109)75(7,33-46-15-11-13-17-51(46)76)91-71(107)63(41(4)94)88-59(95)36-81-66(102)54(26-27-60(96)97)87-72(108)74(5,6)90-65(101)52(77)31-47-35-79-38-82-47/h10-25,30,34-35,38,40-41,52,54-58,62-63,92-94H,9,26-29,31-33,36-37,77H2,1-8H3,(H2,78,100)(H,79,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t40-,41-,52+,54+,55+,56+,57+,58+,62+,63+,75+/m1/s1

HIDE SMILES / InChI

Molecular Formula C75H94FN15O19
Molecular Weight 1528.6364
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:31:17 UTC 2023
Edited
by admin
on Sat Dec 16 11:31:17 UTC 2023
Record UNII
QX4U8JPV3Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-686117
Common Name English
BMS 686117
Code English
(4S)-4-((2-(((2S)-2-AMINO-3-(1H-IMIDAZOL-5-YL)PROPANOYL)AMINO)-2-METHYL-PROPANOYL)AMINO)-5-((2-(((1S,2R)-1-(((1S)-2-(((1S,2R)-1-(((1S)-2-(((1S)-1-(((1S)-2-(((1S)-2-AMINO-1-((6-(O-TOLYL)-3-PYRIDYL)METHYL)-2-OXO-ETHYL)AMINO)-1-((4-(2-ETHYL-4-METHOXY-PHENYL
Systematic Name English
L-ALANINAMIDE, L-HISTIDYL-2-METHYLALANYL-L-.ALPHA.-GLUTAMYLGLYCYL-L-THREONYL-2-FLUORO-.ALPHA.-METHYL-L-PHENYLALANYL-L-THREONYL-L-SERYL-L-.ALPHA.-ASPARTYL-3-(2'-ETHYL-4'-METHOXY(1,1'-BIPHENYL)-4-YL)-L-ALANYL-3-(6-(2-METHYLPHENYL)-3-PYRIDINYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
QX4U8JPV3Z
Created by admin on Sat Dec 16 11:31:17 UTC 2023 , Edited by admin on Sat Dec 16 11:31:17 UTC 2023
PRIMARY
CLINICAL_TRIALS.GOV
BMS-686117
Created by admin on Sat Dec 16 11:31:17 UTC 2023 , Edited by admin on Sat Dec 16 11:31:17 UTC 2023
PRIMARY Official Title: Randomized, Placebo-Controlled, Single-Dose, Crossover Study to Evaluate the Safety, Pharmacokinetics, and Pharmacodynamics of BMS-686117 in Subjects With Type 2 DiabetesThe purpose of this study is to evaluate the safety, pharmacokinetics and pharmacodynamics of single doses of BMS-686117.
PUBCHEM
16158209
Created by admin on Sat Dec 16 11:31:17 UTC 2023 , Edited by admin on Sat Dec 16 11:31:17 UTC 2023
PRIMARY
CAS
1122588-18-4
Created by admin on Sat Dec 16 11:31:17 UTC 2023 , Edited by admin on Sat Dec 16 11:31:17 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY
In this study, we assessed the feasibility of delivering BMS-686117, an 11-mer GLP-1 receptor peptide agonist, to the lung in rats via intratracheal administration. The pharmacokinetic profiles of three spray-dried, prototype inhaled powder formulations, 80/20 BMS-686117/trehalose (I), 100% BMS-686117 (II), and 20/80 BMS-686117/mannitol (III), as well as a lyophilized BMS-686117 powder, were compared with intravenously and subcutaneously administered peptide. The T(max) for lung delivered peptide formulations were almost twice as fast as subcutaneous injection, suggesting potential for rapid absorption and onset of action. This study demonstrated that pulmonary delivery is a promising, non-invasive route for the administration of BMS-686117.