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2374782-82-6

2374782-82-6 Structure

2374782-82-6 Structure
IdentificationBack Directory
[Name]

(S)-6-[3-(4-Boc-1-piperazinyl)propoxy]-N-[2-(2-cyano-4,4-difluoro-1-pyrrolidinyl)-2-oxoethyl]quinoline-4-carboxamide
[CAS]

2374782-82-6
[Synonyms]

(S)-6-[3-(4-Boc-1-piperazinyl)propoxy]-N-[2-(2-cyano-4,4-difluoro-1-pyrrolidinyl)-2-oxoethyl]quinoline-4-carboxamide
tert-butyl 4-(3-{[4-({2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-y l]-2-oxoethyl}carbamoyl)quinolin-6-yl]oxy}propyl) piperazine-1-carboxylate
1-Piperazinecarboxylic acid, 4-[3-[[4-[[[2-[(2S)-2-cyano-4,4-difluoro-1-pyrrolidinyl]-2-oxoethyl]amino]carbonyl]-6-quinolinyl]oxy]propyl]-, 1,1-dimethylethyl ester
[Molecular Formula]

C29H36F2N6O5
[MDL Number]

MFCD32662022
[MOL File]

2374782-82-6.mol
[Molecular Weight]

586.63
Chemical PropertiesBack Directory
[Boiling point ]

819.2±65.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

12.05±0.46(Predicted)
[color ]

White to off-white
[InChIKey]

QTIJFSYOOZNQMO-FQEVSTJZSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCN(CCCOC2=CC=C3C(=C2)C(C(NCC(N2CC(F)(F)C[C@H]2C#N)=O)=O)=CC=N3)CC1
Hazard InformationBack Directory
[Uses]

3BP-3580 is a fibroblast activation protein (FAP) inhibitor (pIC50: 8.6), and can be used for cancer research[1].
[References]

[1] Frank Osterkamp, et al. Fibroblast activation protein inhibitors and use thereof. Patent. WO2023002045
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