5-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methylpent-4-yn-2-ol

Base Information

• Chemical Name: 5-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methylpent-4-yn-2-ol
• CAS No.: 911397-80-3
• Molecular Formula: C21H24ClN5O2
• Molecular Weight: 413.9
• ChEMBL ID: CHEMBL1230584
• Pharos Ligand ID: QKD5LBL9V6YX
• Wikidata: Q27456760
• Mol file: 911397-80-3.mol

Synonyms:EC 144;EC-144;EC144 cpd

Chemical Property of 5-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-methylpent-4-yn-2-ol

Chemical Property:

• PKA: 14.52±0.29(Predicted)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 413.1618527
• Heavy Atom Count: 29
• Complexity: 635

Purity/Quality:

>98% ^*data from raw suppliers

EC 144 ^*data from reagent suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C#CCC(C)(C)O
• Uses: 5-[2-Amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methyl-4-pentyn-2-ol is a potent inhibitor of the heat shock protein 90 and was found to be effective in tumor growth suppression.

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