1H-1,4-Diazepine-1-carboxylic acid, 4-[(4-carboxy-2-oxazolyl)methyl]hexahydro-, 1-(1,1-dimethylethyl) ester

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1H-1,4-Diazepine-1-carboxylic acid, 4-[(4-carboxy-2-oxazolyl)methyl]hexahydro-, 1-(1,1-dimethylethyl) ester Basic information
Product Name:1H-1,4-Diazepine-1-carboxylic acid, 4-[(4-carboxy-2-oxazolyl)methyl]hexahydro-, 1-(1,1-dimethylethyl) ester
Synonyms:1H-1,4-Diazepine-1-carboxylic acid, 4-[(4-carboxy-2-oxazolyl)methyl]hexahydro-, 1-(1,1-dimethylethyl) ester;2-({4-[(tert-butoxy)carbonyl]-1,4-diazepan-1-yl}methyl)-1,3-oxazole-4-carboxylic acid;2-((4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl)methyl)oxazole-4-carboxylic acid
CAS:1860297-13-7
MF:C15H23N3O5
MW:325.36
EINECS:
Product Categories:
Mol File:1860297-13-7.mol
1H-1,4-Diazepine-1-carboxylic acid, 4-[(4-carboxy-2-oxazolyl)methyl]hexahydro-, 1-(1,1-dimethylethyl) ester Structure
1H-1,4-Diazepine-1-carboxylic acid, 4-[(4-carboxy-2-oxazolyl)methyl]hexahydro-, 1-(1,1-dimethylethyl) ester Chemical Properties
Boiling point 464.4±45.0 °C(Predicted)
density 1.249±0.06 g/cm3(Predicted)
storage temp. 2-8°C
form powder
pka3.20±0.10(Predicted)
InChI1S/C15H23N3O5/c1-15(2,3)23-14(21)18-6-4-5-17(7-8-18)9-12-16-11(10-22-12)13(19)20/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyISKRFCHVIQJQMO-UHFFFAOYSA-N
SMILESCC(C)(OC(N1CCCN(CC1)CC2=NC(C(O)=O)=CO2)=O)C
Safety Information
WGK Germany WGK 3
Storage Class11 - Combustible Solids
MSDS Information
1H-1,4-Diazepine-1-carboxylic acid, 4-[(4-carboxy-2-oxazolyl)methyl]hexahydro-, 1-(1,1-dimethylethyl) ester Usage And Synthesis
Uses2-((4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl)methyl)oxazole-4-carboxylic acid is useful as a rigid linker in PROTAC development for targeted protein degradation as well as chemical conjugates. Incorporation of rigidity into the linker region of bifunctional protein degraders may impact the 3D orientation of the degrader and thus ternary complex formation as well as optimization of drug-like properties. Developed in partnership with ComInnex.
Similar linkers in this series:
920517
920681
reaction suitabilityreagent type: linker
1H-1,4-Diazepine-1-carboxylic acid, 4-[(4-carboxy-2-oxazolyl)methyl]hexahydro-, 1-(1,1-dimethylethyl) ester Preparation Products And Raw materials
Tag:1H-1,4-Diazepine-1-carboxylic acid, 4-[(4-carboxy-2-oxazolyl)methyl]hexahydro-, 1-(1,1-dimethylethyl) ester(1860297-13-7) Related Product Information