Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C33H33F2N5O3 |
| Molecular Weight | 584.6444 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@]1(CN([11CH3])C2(CCCC2)C(=O)N1CC(=O)NC3=CC4=C(C[C@@]5(C4)C(=O)NC6=C5C=CC=N6)C=C3)C7=CC(F)=CC(F)=C7
InChI
InChIKey=WYWHBLFVASSGIJ-YUUWNJLSSA-N
InChI=1S/C33H33F2N5O3/c1-31(22-13-23(34)15-24(35)14-22)19-39(2)33(9-3-4-10-33)30(43)40(31)18-27(41)37-25-8-7-20-16-32(17-21(20)12-25)26-6-5-11-36-28(26)38-29(32)42/h5-8,11-15H,3-4,9-10,16-19H2,1-2H3,(H,37,41)(H,36,38,42)/t31-,32-/m0/s1/i2-1
| Molecular Formula | C33H33F2N5O3 |
| Molecular Weight | 584.6444 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:37:29 GMT 2023
by
admin
on
Sat Dec 16 11:37:29 GMT 2023
|
| Record UNII |
XE4U8YZ8XJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
1263291-50-4
Created by
admin on Sat Dec 16 11:37:29 GMT 2023 , Edited by admin on Sat Dec 16 11:37:29 GMT 2023
|
PRIMARY | |||
|
155907712
Created by
admin on Sat Dec 16 11:37:29 GMT 2023 , Edited by admin on Sat Dec 16 11:37:29 GMT 2023
|
PRIMARY | |||
|
XE4U8YZ8XJ
Created by
admin on Sat Dec 16 11:37:29 GMT 2023 , Edited by admin on Sat Dec 16 11:37:29 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET->RADIOLIGAND |
|
||
|
TARGET -> INHIBITOR |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
However, it is not clear what role the inhibition of central CGRP-R plays in migraine pain relief. To this end, the CGRP-R positron emission tomography (PET) tracer ((11)C)MK-4232 (2-((8R)-8-(3,5-difluorophenyl)-6,8-(6-(11)C)dimethyl-10-oxo-6,9-diazaspiro(4.5)decan-9-yl)-N-((2R)-2'-oxospiro(1,3-dihydroindene-2,3'-1H-pyrrolo(2,3-b)pyridine)-5-yl)acetamide) was discovered and developed for use in clinical PET studies. In rhesus monkeys and humans, ((11)C)MK-4232 displayed rapid brain uptake and a regional brain distribution consistent with the known distribution of CGRP-R. Monkey PET studies with ((11)C)MK-4232 after intravenous dosing with CGRP-R antagonists validated the ability of ((11)C)MK-4232 to detect changes in CGRP-R occupancy in proportion to drug plasma concentration. Application of ((11)C)MK-4232 in human PET studies revealed that telcagepant achieved only low receptor occupancy at an efficacious dose (140 mg PO).
|
||
|
ACTIVE MOIETY |
Data for CGRP Receptor Antagonist - (11C)MK-4232:
CGRP = 46 +/- 15, Ki = 7
P-gpc = 1.7
monkey fu = 4.3%
CSF:PL = 3.12%
|
