Arq-736
disodium;[3-[5-[2-[[(3R)-1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenoxy]methyl phosphate
Molecular Identity
Arq-736
disodium;[3-[5-[2-[[(3R)-1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenoxy]methyl phosphate
PubChem CID: 46869123
2D Structure
Properties
C25H25N8Na2O8PS
Molecular Formula
674.50
Molecular Weight
g/mol
674.1049
Exact Mass
Da
213
TPSA
May have limited oral absorption
1
H-Bond Donors
14
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=CC(=N1)S(=O)(=O)N2CCCC(C2)NC3=NC=CC(=N3)C4=C(N=C5N4C=CO5)C6=CC(=CC=C6)OCOP(=O)([O-])[O-].[Na+].[Na+]Isomeric SMILES
SMILES: CN1C=CC(=N1)S(=O)(=O)N2CCC[C@H](C2)NC3=NC=CC(=N3)C4=C(N=C5N4C=CO5)C6=CC(=CC=C6)OCOP(=O)([O-])[O-].[Na+].[Na+]Synonyms(18)
ARQ-736ARQ 736 [WHO-DD]UNII-Y2H4S74Y8UARQ 736Methanol, 1-(3-(5-(2-(((3R)-1-((1-methyl-1H-pyrazol-3-yl)sulfonyl)-3-piperidinyl)amino)-4-pyrimidinyl)imidazo(2,1-b)oxazol-6-yl)phenoxy)-, 1-(dihydrogen phosphate), sodium salt (1:2)RefChem:114165BRAF Inhibitor ARQ 736AQ 7361644503-82-11228237-57-7Y2H4S74Y8Udisodium;[3-[5-[2-[[(3R)-1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]amino]pyrimidin-4-yl]imidazo[2,1-b][1,3]oxazol-6-yl]phenoxy]methyl phosphateHXINDCTZKGGRDE-JPKZNVRTSA-Lorb1738296CHEMBL5314407
Data from PubChem (NCBI)
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