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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29FN6O7S2
Molecular Weight 619.675
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VM4-037 F-18

SMILES

CC(C)[C@H](N1C=C(COC2=CC=C3N=C(SC3=C2)S(N)(=O)=O)N=N1)C(=O)N[C@@H](CC4=CC=C(OCC[18F])C=C4)C(O)=O

InChI

InChIKey=QGYZPMXIVNIGKA-SZJJUGPPSA-N
InChI=1S/C26H29FN6O7S2/c1-15(2)23(24(34)29-21(25(35)36)11-16-3-5-18(6-4-16)39-10-9-27)33-13-17(31-32-33)14-40-19-7-8-20-22(12-19)41-26(30-20)42(28,37)38/h3-8,12-13,15,21,23H,9-11,14H2,1-2H3,(H,29,34)(H,35,36)(H2,28,37,38)/t21-,23-/m0/s1/i27-1

HIDE SMILES / InChI

Molecular Formula C26H29FN6O7S2
Molecular Weight 619.675
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 Fri Dec 15 19:51:01 GMT 2023
Edited
by admin
on Fri Dec 15 19:51:01 GMT 2023
Record UNII
78YP9ZU8U6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VM4-037 F-18
Common Name English
(S)-3-(4-(2-(F-18)FLUOROETHOXY)PHENYL)-2-((S)-3-METHYL-2-(4-((2-SULFAMOYLBENZO(D)THIAZOL-6-YLOXY)METHYL)-1H-1,2,3-TRIAZOL-1-YL)BUTANAMIDO)PROPANOIC ACID
Common Name English
L-TYROSINE, N-((2S)-2-(4-(((2-(AMINOSULFONYL)-6-BENZOTHIAZOLYL)OXY)METHYL)-1H-1,2,3-TRIAZOL-1-YL)-3-METHYL-1-OXOBUTYL)-O-(2-(FLUORO-18F)ETHYL)-
Common Name English
(18F)VM-4-037
Code English
(F18)VM-4-037
Code English
Code System Code Type Description
PUBCHEM
59552685
Created by admin on Fri Dec 15 19:51:01 GMT 2023 , Edited by admin on Fri Dec 15 19:51:01 GMT 2023
PRIMARY
CAS
1071471-25-4
Created by admin on Fri Dec 15 19:51:01 GMT 2023 , Edited by admin on Fri Dec 15 19:51:01 GMT 2023
PRIMARY
FDA UNII
78YP9ZU8U6
Created by admin on Fri Dec 15 19:51:01 GMT 2023 , Edited by admin on Fri Dec 15 19:51:01 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
Results: MicroPET imaging showed high (18F)VM4-037 uptake in the abdominal region, and biodistribution revealed high radioactivity in the kidney, ileum, colon, liver, stomach, and bladder. Although high CAIX expression was confirmed in both tumor models, tumor uptake assessed with microPET and biodistribution experiments was comparable to background tissues. Conclusions: In this study, (18F)VM4-037 does not specifically accumulate in CAIX-expressing tumors, indicating that the tracer is not suitable for the detection of CAIX.