Basic information
- CAS
134742-19-1- Standard SMILES
Cc1cc(NC(=O)NC(=O)c2ccccc2N(C)C)ccc1Oc1ncc(Br)cn1- InChIKey
JNGQUJZDVFZPEN-UHFFFAOYSA-N- Molecular formula
- C21H20BrN5O3
- Average molar mass
- 470.3 g/mol
- Monoisotopic mass
- 469.07495
Names & identifiers
- Preferred name
- N-(((4-((5-Bromo-2-pyrimidinyl)oxy)-3-methylphenyl)amino)carbonyl)-2-(dimethylamino)benzamide
- IUPAC
- N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(dimethylamino)benzamide
- English name
- N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-dimethyl amino-benzamide
- Molecular formula
- C21H20BrN5O3
- Molecular weight
- 470.32
Names & synonyms
NSC-639829N-(((4-((5-Bromo-2-pyrimidinyl)oxy)-3-methylphenyl)amino)carbonyl)-2-(dimethylamino)benzamideN-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(dimethylamino)benzamide7T0503X2CJN-[[4-(5-BROMOPYRIMIDIN-2-YL)OXY-3-METHYL-PHENYL]CARBAMOYL]-2-DIMETHYL AMINO-BENZAMIDEN-((4-((5-Bromopyrimidin-2-yl)oxy)-3-methylphenyl)carbamoyl)-2-(dimethylamino)benzamideBenzamide, N-(((4-((5-bromo-2-pyrimidinyl)oxy)-3-methylphenyl)amino)carbonyl)-2-(dimethylamino)-Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methylphenyl]amino]carbonyl]-2-(dimethylamino)-Neuro_000306SCHEMBL895822UNII-7T0503X2CJCHEMBL306688
Show more names
NSC639829N-[[[4-[(5-Bromo-2-pyrimidinyl)oxy]-3-methylphenyl]amino]carbonyl]-2-(dimethylamino)benzamide
orb1703011SCHEMBL30417920SCHEMBL31238129DTXSID70928742JNGQUJZDVFZPEN-UHFFFAOYSA-NAKOS040746172N-[4-(5-Bromo-2-pyrimidinyloxy)-3-methylphenyl]-N'-[2-(dimethylamino)benzoyl]ureaNCI60_013257
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
Physicochemical properties
- FDA UNII
- 7 T0503X2CJ · 7T0503X2CJ
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN-({4-[(5-bromopyrimidin-2-yl)oxy]-3-methylphenyl}carbamoyl)-2-(dimethylamino)benzamide has known human metabolites that include mmBPU.
Applications
UsesNSC-639829 is a Benzoylphenylurea (BPU) analogue which has antitumor activity. NSC-639829 is promising for research of refractory metastatic cancer[1].
Suppliers8 total
重庆福腾医药有限公司18696571988 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
南京协诺生物技术有限公司025-84112752 13805181430 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
3 records
Compound notes
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