Basic information
- CAS
214697-26-4- Standard SMILES
Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12- InChIKey
RQCXKDWOCUJWQZ-UHFFFAOYSA-N- Molecular formula
- C22H19BrN6O
- Average molar mass
- 463.3 g/mol
- Monoisotopic mass
- 462.08037
Overview
5-(3-bromophenyl)-7-[6-(4-morpholinyl)-3-pyridinyl]-4-pyrido[2,3-d]pyrimidinamine is a member of bipyridines.
Names & identifiers
- Preferred name
- Abt-702
- IUPAC
- 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
- English name
- 4-Amino-5-(3-bromophenyl)-7-(6-morpholino-pyridin-3-yl)pyrido[2,3-d]pyrimidine dihydrochloride
- Molecular formula
- C22H19BrN6O
- Molecular weight
- 463.33
Names & synonyms
abt-702Abt 702214697-26-4ABT7022P206WS5B35-(3-bromophenyl)-7-[6-(morpholin-4-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-aminePyrido(2,3-d)pyrimidin-4-amine, 5-(3-bromophenyl)-7-(6-(4-morpholinyl)-3-pyridinyl)-5-(3-bromophenyl)-7-(6-(morpholin-4-yl)pyridin-3-yl)pyrido(2,3-d)pyrimidin-4-amineRefChem:1085615-(3-Bromophenyl)-7-(6-morpholinopyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amineCHEMBL660895-(3-Bromophenyl)-7-[6-(4-morpholinyl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
Show more names
ABT 702 dihydrochlorABT 702 DIHYDROCHLORIDEAdenosine Kinase Inhibitor4-Amino-5-(3-bromophenyl)-7-(6-morpholinopyridin-3-yl)pyrido[2,3-d]pyrimidine5-(3-Bromophenyl)-7-[6-(4-morpholinyl)-3-pyridinyl]-pyrido[2,3-d]pyrimidin-4-aminePyrido[2,3-d]pyrimidin-4-amine, 5-(3-bromophenyl)-7-[6-(4-morpholinyl)-3-pyridinyl]-5-(3-Bromophenyl)-7-[6-(4-morpholinyl)-3-pyrido[2,3-d]byrimidin-4-aminedihydrochloride
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 564
Experimental & physicochemical properties
LogP3.2
Physicochemical properties
- Melting point
- 227 · 227-245 °C(lit.)
- storage temp.
- Desiccate at RT
- solubility
- 24 mg/mL · DMSO: 24 mg/mL
- FDA UNII
- 2 P206WS5B3 · 2P206WS5B3
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesABT 702 Dihydrochloride is employed in the assay for quantitative high-throughput screening of anti-hepatitis C virus compounds.
Suppliers18 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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