(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol

Base Information

• Chemical Name: (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
• CAS No.: 380610-27-5
• Deprecated CAS: 72795-17-6
• Molecular Formula: C17H27NO2
• Molecular Weight: 277.40178
• DSSTox Substance ID: DTXSID401118341
• Nikkaji Number: J257.585J
• Wikipedia: ICI-118,551
• Pharos Ligand ID: 332QGUW1AQPF
• Metabolomics Workbench ID: 66345
• ChEMBL ID: CHEMBL198059
• Mol file: 380610-27-5.mol

Synonyms:erythro-DL-1-(7-methylindan-4-yloxy)-3-isopropylaminobutan-2-ol;ICI 111,581;ICI 111581;ICI 118,551;ICI 118551;ICI 118551, hydrochloride;ICI-111581;ICI-118551

Chemical Property of (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 277.204179104
• Heavy Atom Count: 20
• Complexity: 295

Purity/Quality:

99% ^*data from raw suppliers

Pertuzumab ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O
• Isomeric SMILES: CC1=C2CCCC2=C(C=C1)OC[C@@H]([C@H](C)NC(C)C)O
• Recent EU Clinical Trials: NeoAdjuvant Dynamic marker - Adjusted Personalized Therapy comparing trastuzumab-deruxtecan versus pacli-/docetaxel+carboplatin+trastuzumab+pertuzumab in HER2+ early breast cancer
• Description: Pertuzumab is an anti-human epidermal growth factor receptor 2 (HER2) antibody that was approved by the US FDA in June 2012 for use in combination with trastuzumab (Herceptin?) and docetaxel chemotherapy for the treatment of people with HER2-positive (HER2+) metastatic breast cancer (mBC) who have not received prior anti-HER2 therapy or chemotherapy for metastatic disease. Pertuzumab inhibits HER2 dimer formation with other HER members, such as HER1 and HER3, thus inhibiting the downstream signaling processes associated with tumor growth and progression. Pertuzumab is the first HER2 dimerization inhibitor to reach the market. The mechanism of actions of trastuzumab and pertuzumab are believed to complement each other and provide a more comprehensive inhibition of tumor growth than either agent alone. Preclinical data showed that the combination of trastuzumab and pertuzumab has a strongly enhanced antitumor effect and induces tumor regression in xenograft models, something that cannot be achieved by either monotherapy alone.
• Uses: Anti-neoplastic.
• Clinical Use: Monoclonal antibody: Treatment of HER2 receptor +ve breast cancer
• Drug interactions: Potentially hazardous interactions with other drugs None known