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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24FN9O
Molecular Weight 460.4973
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-754807 F-18

SMILES

C[C@]1(CCCN1C2=NN3C=CC=C3C(NC4=NNC(=C4)C5CC5)=N2)C(=O)NC6=CN=C([18F])C=C6

InChI

InChIKey=LQVXSNNAFNGRAH-SXBFPYQPSA-N
InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1/i24-1

HIDE SMILES / InChI

Molecular Formula C23H24FN9O
Molecular Weight 460.4973
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: Description was created based on several sources, including http://jnm.snmjournals.org/content/53/supplement_1/1558.abstract?related-urls=yes&legid=jnumed;53/supplement_1/1558

BMS-754807 is an orally bioavailable, potent and reversible small molecule inhibitor of the IGF-1R/IR family kinases with Ki <2 nmol/L. BMS-754807 could effectively inhibit the growth of many human tumor types from in vitro perspective, such as mesenchymal, hematopoietic and epithelial tumor cell lines with an IC50 value of 5–365 nmol/L. BMS-754807 F-18 is the first small molecule radioligand that showed promise for imaging IGF-1R in tumor/ cancer. The results indicate that BMS-754807 F-18 can be a potential PET imaging agent for in vivo monitoring IGF-1R.

Originator

Curator's Comment: # Bristol-Myers Squibb

Approval Year

Targets

Targets

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Diagnostic
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Synthesis and in vitro evaluation of [18F]BMS-754807: a potential PET ligand for IGF-1R.
2013 Jul 15
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:09 GMT 2023
Edited
by admin
on Sat Dec 16 09:27:09 GMT 2023
Record UNII
0S131V9ZZZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-754807 F-18
Common Name English
2-PYRROLIDINECARBOXAMIDE, 1-(4-((5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-N-(6-(FLUORO-18F)-3-PYRIDINYL)-2-METHYL-, (2S)-
Systematic Name English
(18F)(S)-1-(4-((5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-N-(6-FLUOROPYRIDIN-3-YL)-2-METHYLPYRROLIDINE-2-CARBOXAMIDE
Systematic Name English
(18F)-BMS-754807
Code English
1-(4-((5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-N-(6-(18F)FLUORO-3-PYRIDINYL)-2-METHYL-L-PROLINAMIDE
Systematic Name English
Code System Code Type Description
SMS_ID
300000038518
Created by admin on Sat Dec 16 09:27:09 GMT 2023 , Edited by admin on Sat Dec 16 09:27:09 GMT 2023
PRIMARY
PUBCHEM
71713629
Created by admin on Sat Dec 16 09:27:09 GMT 2023 , Edited by admin on Sat Dec 16 09:27:09 GMT 2023
PRIMARY
CAS
1446701-47-8
Created by admin on Sat Dec 16 09:27:09 GMT 2023 , Edited by admin on Sat Dec 16 09:27:09 GMT 2023
PRIMARY
FDA UNII
0S131V9ZZZ
Created by admin on Sat Dec 16 09:27:09 GMT 2023 , Edited by admin on Sat Dec 16 09:27:09 GMT 2023
PRIMARY
Related Record Type Details
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