127272

1-Adamantaneacetic acid

98%

• Synonym(s): 1-Adamantylacetic acid
• Empirical Formula (Hill Notation): C₁₂H₁₈O₂
• CAS Number: 4942-47-6
• Molecular Weight: 194.27
• Beilstein: 641412
• EC Number: 225-585-1
• MDL number: MFCD00074728
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847774
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 98%
• form: chunks
• mp: 134-137 °C (lit.)
• functional group: carboxylic acid
• SMILES string: OC(=O)CC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
• InChI: 1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)/t8-,9+,10-,12-
• InChI key: AOTQGWFNFTVXNQ-GOCCLTDMSA-N

Description

Application

1-Adamantaneacetic acid was used as an acylating agent in determining pharmacological characteristics of ten new analogues of bradykinin (Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg) that were modified in the N-terminal part of the molecule.

Biochem/physiol Actions

1-Adamantaneacetic acid is an inhibitor of chorismate mutase-prephenate dehydrogenase (EC 1.3.1.12) from Escherichia coli K12 (strain JP 232).

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves