3-[[(2S)-3-[(2S)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrrolidin-1-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxopropyl]carbamoyl]-4-methoxybenzenesulfonyl fluoride

Modify Date: 2026-07-06 09:03:40

3-[[(2S)-3-[(2S)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrrolidin-1-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxopropyl]carbamoyl]-4-methoxybenzenesulfonyl fluoride Structure
3-[[(2S)-3-[(2S)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrrolidin-1-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxopropyl]carbamoyl]-4-methoxybenzenesulfonyl fluoride structure
Common Name 3-[[(2S)-3-[(2S)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrrolidin-1-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxopropyl]carbamoyl]-4-methoxybenzenesulfonyl fluoride
CAS Number 2865171-75-9 Molecular Weight 617.7
Density N/A Boiling Point N/A
Molecular Formula C29H36FN5O7S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-[[(2S)-3-[(2S)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrrolidin-1-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxopropyl]carbamoyl]-4-methoxybenzenesulfonyl fluoride

 Chemical & Physical Properties

Molecular Formula C29H36FN5O7S
Molecular Weight 617.7
InChIKey NUAUWPVMCPSATJ-JDGBCZCZSA-N
SMILES CNC(C)C(=O)NC(CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCCC1C(=O)NC1CCc2ccccc21

 Bioassay

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Name: Induction of apoptosis in human SK-MEL-28 cells assessed as increase in caspase-3/7 a...
Source: ChEMBL
Target: SK-MEL-28
External Id: CHEMBL5098747
Name: Binding affinity to ML-IAP in human SK-MEL-28 cells assessed as change in melting tem...
Source: ChEMBL
Target: Baculoviral IAP repeat-containing protein 7
External Id: CHEMBL5098743
Name: Binding affinity to N-terminal His-tagged XIAP-BIR3 domain (253 to 347 residues) (unk...
Source: ChEMBL
Target: E3 ubiquitin-protein ligase XIAP
External Id: CHEMBL5098744
Name: Binding affinity to N-terminal His-tagged XIAP-BIR3 domain (253 to 347 residues) (unk...
Source: ChEMBL
Target: E3 ubiquitin-protein ligase XIAP
External Id: CHEMBL5098745
Name: Induction of apoptosis in human SK-MEL-28 cells assessed as increase in caspase-3/7 a...
Source: ChEMBL
Target: SK-MEL-28
External Id: CHEMBL5098746
Name: Binding affinity to N-terminal His-tagged ML-IAP BIR domain K121A mutant (63 to 179 r...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5098739
Name: Binding affinity to N-terminal His-tagged wild type ML-IAP BIR domain (63 to 179 resi...
Source: ChEMBL
Target: Baculoviral IAP repeat-containing protein 7
External Id: CHEMBL5098741
Name: Binding affinity to N-terminal His-tagged ML-IAP K135A mutant (63 to 179 residues) (u...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5098742
Name: Binding affinity to N-terminal His-tagged wild type ML-IAP BIR domain (63 to 179 resi...
Source: ChEMBL
Target: Baculoviral IAP repeat-containing protein 7
External Id: CHEMBL5098735
Name: Antagonist activity at N-terminal His-tagged XIAP-BIR3 domain (253 to 347 residues)(u...
Source: ChEMBL
Target: E3 ubiquitin-protein ligase XIAP
External Id: CHEMBL5098736
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