Name: A 410099.1, amine-Boc hydrochloride
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214323368
Cas No:2374122-37-7
常用名:A 410099.1, amine-Boc hydrochloride
常用名:A 410099.1, amine-Boc hydrochloride
IUPAC:tert-butyl N-[(1S)-1-{[(1S)-2-[(2S,4S)-4-amino-2-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate hydrochloride
IUPAC:tert-butyl N-[(1S)-1-{[(1S)-2-[(2S,4S)-4-amino-2-{[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl}ethyl]-N-methylcarbamate hydrochloride
InChI key:XWVNETXEAKCZET-CZNZTGDVSA-N

分子式:C32H50ClN5O5
分子量:620.23
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
SMILES:Cl.C[C@H](N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12

A 410099.1, amine-Boc hydrochloride, serves as a functionalized IAP (Inhibitor of Apoptosis Proteins) ligand instrumental in the synthesis of PROTACs (Proteolysis Targeting Chimeras), notably those targeting BTK (Bruton's Tyrosine Kinase), including PROTACs 4 and 5.

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