4-(Methylsulfonylamino)Phenylboronic Acid 4-(甲磺酰氨基)苯硼酸
CAS 380430-57-9 MFCD02179473
化学结构图
SMILES: CS(=O)(=O)NC1C=CC(=CC=1)B(O)O
化学属性
| Mol. Formula | C7H10BNO4S |
|---|---|
| Mol. Weight | 215.03 |
| Melting Point | 148-154° |
| TSCA | No |
别名和识别编码
| Chemical Name | 4-(Methylsulfonylamino)Phenylboronic Acid |
|---|---|
| Synonym | [4-[(Methanesulfonyl)amino]phenyl]boronic acid 4-(甲磺酰胺基)苯硼酸 4-(Dihydroxyboryl)-N-(methylsulfonyl)phenylamine 4-Methylsulfonylaminophenylboronic acid [4-[(Methanesulfonyl)amino]phenyl]boronic acid 4-甲基磺酰氨基苯基硼酸 4-(甲磺酰胺基)苯硼酸 4-(Methanesulfonylamino)phenylboronic acid 4-Methylsulfonylaminophenylboronic acid 4-(Dihydroxyboryl)-N-(methylsulfonyl)phenylamine |
| MDL Number | MFCD02179473 |
| CAS Number | 380430-57-9 |
| Alfabeta Name | METHANESULFONYLAMINOPHENYLBORONICACID 4- |
| Chemical Name Translation | 4-(甲磺酰氨基)苯硼酸 |
| PubChem Substance ID | 329763558 |
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分类
- {KO} Misc
- {SNA} Aryl Boronic Acids, Boronic Acids, Boronic Acids and Derivatives, Chemical Synthesis, Monosubstituted Aryl Boronic Acids, Organometallic Reagents
- Aryl Boronic Acids, Boronic Acids, Boronic Acids and Derivatives, Chemical Synthesis, Monosubstituted Aryl Boronic Acids, Organometallic Reagents
相关文献及参考
- 1. Miller, David D.; et al., 3,5-Disubstituted-indole-7-carboxamides: The discovery of a novel series of potent, selective inhibitors of IKK-β Bioorg. Med. Chem. Lett. 21 , 2255-2258, (2011)
- 2. Wetzel, M.; et al., 17β-HSD2 inhibitors for the treatment of osteoporosis: Identification of a promising scaffold Bioorg. Med. Chem. 19 , 807-815, (2011)
- 3. De Schutter, J. W.; et al., Novel bisphosphonate inhibitors of the human farnesyl pyrophosphate synthase Bioorg. Med. Chem. Lett. 20 , 5781, (2010)
- 4. Vandromme, L.; et al., Suzuki-type Pd(0) coupling reactions in the synthesis of 2-arylpurines as Cdk inhibitors Bioorg. Med. Chem. Lett. 16 , 3144-3146, (2006)
安全信息
GHS Symbol
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- H315 Causes skin irritation 会刺激皮肤
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H302 Harmful if swallowed 吞食有害
- H319 Causes serious eye irritation 严重刺激眼睛
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- S37 Wear suitable gloves 戴适当手套；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R22 Harmful if swallowed 吞咽有害
药物吸收、分布、代谢与排泄(ADME)
H-bond Donors
3
H-bond Acceptors
4
Rotatable Bonds
3
