Basic information
- CAS
702676-93-5- Standard SMILES
CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br- InChIKey
ZNSULAZTNWFKEW-UHFFFAOYSA-N- Molecular formula
- C23H31BrN8O3
- Average molar mass
- 547.4 g/mol
- Monoisotopic mass
- 546.17025
Names & identifiers
- Preferred name
- BX-320
- IUPAC
- N'-[3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide
- English name
- N-(3-(4-(3-(3-Amino-2,2-dimethyl-3-oxopropanamido)propylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide
- Molecular formula
- C23H31BrN8O3
- Molecular weight
- 547.44804
Names & synonyms
702676-93-5BX-320UNII-B504GXS5SMB504GXS5SMPropanediamide, N-(3-((5-bromo-2-((3-((1-pyrrolidinylcarbonyl)amino)phenyl)amino)-4-pyrimidinyl)amino)propyl)-2,2-dimethyl-DTXSID80220507Propanediamide, N1-(3-((5-bromo-2-((3-((1-pyrrolidinylcarbonyl)amino)phenyl)amino)-4-pyrimidinyl)amino)propyl)-2,2-dimethyl-RefChem:122432DTXCID40142998BX320N-(3-(4-(3-(3-amino-2,2-dimethyl-3-oxopropanamido)propylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamideN'-[3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide
Show more names
BX-320 (BX320)N1-[3-[[5-Bromo-2-[[3-[(1-pyrrolidinylcarbonyl)amino]phenyl]amino]-4-pyrimidinyl]amino]propyl]-2,2-dimethylpropanediamidePropanediamide, N1-[3-[[5-bromo-2-[[3-[(1-pyrrolidinylcarbonyl)amino]phenyl]amino]-4-pyrimidinyl]amino]propyl]-2,2-dimethyl-
N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDEN-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcarbonyl)amino]phenyl}amino)pyrimidin-4-yl]amino}propyl)-2,2-dimethylpropanediamide1z5mC23H31BrN8O3LI8CHEMBL573108orb1692786SCHEMBL3871286
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 734
Experimental & physicochemical properties
LogP2.32
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO: soluble
- form
- A crystalline solid
- color
- White to off-white
- FDA UNII
- 504 GXS5SM · B504GXS5SM
Chemistry & industry
Applications
UsesBX-320 is a selective, ATP-competitive, orally acitive, and direct PDK1 inhibitor with an IC50 of 30 nM in a direct kinase assay format. BX-320 also induces apoptosis. Anticancer effect[1].
Suppliers10 total
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
0 records
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Compound notes
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