2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide
Basic information
- CAS
134742-26-0- Standard SMILES
Nc1ccccc1C(=O)NC(=O)Nc1ccc(Oc2ncc(Br)cn2)c(Cl)c1- InChIKey
LRPFTPYFADHGQJ-UHFFFAOYSA-N- Molecular formula
- C18H13BrClN5O3
- Average molar mass
- 462.7 g/mol
- Monoisotopic mass
- 460.98903
Names & identifiers
- Preferred name
- 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide
- IUPAC
- 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide
- English name
- 2-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]carbamoyl]ben zamide
- Molecular formula
- C18H13BrClN5O3
- Molecular weight
- 462.68
Names & synonyms
NSC639828134742-26-02-amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide2-AMINO-N-[[4-(5-BROMOPYRIMIDIN-2-YL)OXY-3-CHLORO-PHENYL]CARBAMOYL]BEN ZAMIDEMLS002702920ANTINEOPLASTIC-6398282-amino-n-({4-[(5-bromopyrimidin-2-yl)oxy]-3-chlorophenyl}carbamoyl)benzamideNCIMech_000642SCHEMBL9138453CHEMBL1906290SCHEMBL31237467SCHEMBL41977917
Show more names
Benzamide, 2-amino-N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chlorophenyl]amino]carbonyl]-
DTXSID40327263CCG-35924EX-A13761AKOS040756659NSC-639828DA-56314MS-28514NCI60_013256
Database identifiers
- CAS
134742-26-0- PubChem CID
- 368696
- DTXSID
DTXSID40327263- ChEMBL
CHEMBL1906290- Nikkaji
- J553.002D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- storage temp.
- -20 °C, · -20°C, protect from light
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (216.13 mM; Need ultrasonic)
- form
- Solid
- color
- Light yellow to green yellow
Chemistry & industry
Applications
UsesNSC639828 is a potent inhibitor of DNA polymerase α with an IC50 of 70 μM. NSC639828 has high antitumor activity. NSC639828 has the potential for researching cancer disease[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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