Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C66H94FN17O20S2 |
| Molecular Weight | 1527.685 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)CN(C)C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@H](CS(O)(=O)=O)NC(=O)C4=CC(C#N)=C([18F])C=C4)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O
InChI
InChIKey=BOCGKBPJKDHUME-SCRJELLHSA-N
InChI=1S/C66H94FN17O20S2/c1-34(2)21-46(52(85)26-55(88)77-47(58(70)90)22-35(3)4)79-64(96)49(25-41-29-71-33-74-41)78-56(89)30-84(8)66(98)57(36(5)6)83-59(91)37(7)75-63(95)48(24-40-28-73-44-14-10-9-13-42(40)44)80-62(94)45(18-19-53(69)86)76-54(87)15-11-12-20-72-61(93)50(31-105(99,100)101)82-65(97)51(32-106(102,103)104)81-60(92)38-16-17-43(67)39(23-38)27-68/h9-10,13-14,16-17,23,28-29,33-37,45-52,57,73,85H,11-12,15,18-22,24-26,30-32H2,1-8H3,(H2,69,86)(H2,70,90)(H,71,74)(H,72,93)(H,75,95)(H,76,87)(H,77,88)(H,78,89)(H,79,96)(H,80,94)(H,81,92)(H,82,97)(H,83,91)(H,99,100,101)(H,102,103,104)/t37-,45-,46-,47-,48-,49-,50-,51-,52-,57-/m0/s1/i67-1
| Molecular Formula | C66H94FN17O20S2 |
| Molecular Weight | 1527.685 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 4 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:49:59 GMT 2023
by
admin
on
Sat Dec 16 11:49:59 GMT 2023
|
| Record UNII |
M5HDR29ZUG
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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1443772-78-8
Created by
admin on Sat Dec 16 11:49:59 GMT 2023 , Edited by admin on Sat Dec 16 11:49:59 GMT 2023
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300000042370
Created by
admin on Sat Dec 16 11:49:59 GMT 2023 , Edited by admin on Sat Dec 16 11:49:59 GMT 2023
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M5HDR29ZUG
Created by
admin on Sat Dec 16 11:49:59 GMT 2023 , Edited by admin on Sat Dec 16 11:49:59 GMT 2023
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155923141
Created by
admin on Sat Dec 16 11:49:59 GMT 2023 , Edited by admin on Sat Dec 16 11:49:59 GMT 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
Company: Bayer AG; Description: Positive emission tomography (PET) tracer, F-18 labeled bombesin analog; Mechanism of Action: Diagnostic, Imaging agent; Therapeutic Modality: Diagnostics; Latest Stage of Development: Preclinical; Standard Indication: Cancer, Diagnostic; Indication Details: Cancer, Diagnostic
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ACTIVE MOIETY |
Objective: To evaluate the diagnostic performance of BAY 86-4367 in recurrent and primary prostate cancer (PC) patients. BAY 86-4367 is a new directly F-18 labeled, synthetic bombesin analog with antagonistic properties, targeting Gastrin-releasing-peptide receptors (GRPr).
Results: In patients with recurrent PC, FEC PET/CT showed pathological uptake in 4 of 5 patients. BAY 86-4367 showed pathologic uptake in only 1 of 5 patients with recurrent disease. In patients with primary PC, FEC PET/CT was performed in 4/5 patients with positive delineation of malignant lesions in all 4 patients. BAY 86-4367 depicted malignant lesions in 3/5 primary PC patients. Histopathology verified the correct tumor localization in these patients. BAY 86-4367 was well tolerated. Safety data showed no relevant changes in the sequential blood values, ECGs, urine testing or physical examination.
Conclusions: PET imaging with BAY 86-4367 was safe and well tolerated. In recurrent PC, BAY 86-4367 does not allow reliable tumor delineation. In primary PC, BAY 86-4367 depicted tumor in a subset of patients. The role of bombesin analogs in GRPr imaging in PC needs to be further explored.
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