Basic information
- CAS
122956-68-7- Standard SMILES
CCOC(=O)C1=C(c2ccc(-n3c(C)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)C1c1ccccc1Cl- InChIKey
ODRYSCQFUGFOSU-UHFFFAOYSA-N- Molecular formula
- C34H29ClN6O3
- Average molar mass
- 605.1 g/mol
- Monoisotopic mass
- 604.1989665
Names & identifiers
- Preferred name
- UK-74505
- IUPAC
- ethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
- English name
- Rac-Modipafant
- Molecular formula
- C34H29ClN6O3
- Molecular weight
- 605.09
Names & synonyms
UK-74505UK 74505RefChem:933774122956-68-7(Rac)-ModipafantModipafant racematerac-Modipafant3QK4U869532-[4-(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-4-(2-chlorophenyl)-5-[(2-pyridinylamino)carbonyl]-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl esterethyl 4-(2-chlorophenyl)-6-methyl-2-(4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl)-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylateethyl 4-(2-chlorophenyl)-6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate3-Pyridinecarboxylic acid,4-(2-chlorophenyl)-1,4-dihydro-6-methyl-2-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl]-5-[(2-pyridinylamino)carbonyl]-, ethyl ester, (4R)-
Show more names
Modipefant(Rac) Modipafant,(Rac)Modipafantethyl 4-(2-chlorophenyl)-6-methyl-2-(4-{2-methylimidazo[4,5-c]pyridin-1-yl}phenyl)-5-[(pyridin-2-yl)carbamoyl]-1,4-dihydropyridine-3-carboxylate - [AC77674]ethyl 4-(2-chlorophenyl)-6-methyl-2-(4-(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)phenyl)-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate(WXG02205)
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- -20 °C · Store at -20°C
- pka
- 12.14 · 12.14±0.70(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- FDA UNII
- 3 QK4U86953 · 3QK4U86953
Chemistry & industry
Applications
UsesModipafant is a novel and selective PAF antagonist with potent and prolonged oral activity.
Suppliers16 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
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Compound notes
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