![Sulfamic acid, [(1R,2S,4R)-4-[[5-[[4-[(1R)-7-chloro-1,2,3,4-tetrahydro-1-isoquinolinyl]-5-methyl-2-thienyl]carbonyl]-4-pyrimidinyl]amino]-2-hydroxycyclopentyl]methyl ester structure, CAS 1858276-04-6](/structures/210000/189639_1_1858276_04_6.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1858276-04-6 |
| Catalog No. | 2A-2188271 |
| Chinese Name | [(1R,2S,4R)-4-[[5-[[5-[4-((1R)-7-氯-1,2,3,4-四氢异喹啉-1-基)-5-甲基噻吩-2-基]羰基]嘧啶-4-基]氨基]-2-羟基环戊基]甲基磺酸甲酯 |
| Synonyms | MFCD32062692 |
| Molecular Formula | C25H28O5N5Cl1S2 |
| Molecular Weight | 578.11 |
| Density | 1.474±0.06 g/cm3(Predicted) |
| Boiling Point | 836.1±75.0 °C(Predicted) |
| Storage Condition | 2-8°C |
| Application | TAK-981 is a first-line, selective inhibitor of SUMOylation enzyme-linked reaction with potential immune activation and anti-tumor activity. |
| PubChem ID | 312109598 |
| MDL Number | MFCD32062692 |
| SMILES | Cc1sc(C(=O)c2cncnc2NC2CC(O)C(COS(N)(=O)=O)C2)cc1C1NCCc2ccc(Cl)cc21 |
| InChI | InChI=1S/C25H28ClN5O5S2/c1-13-18(23-19-7-16(26)3-2-14(19)4-5-29-23)9-22(37-13)24(33)20-10-28-12-30-25(20)31-17-6-15(21(32)8-17)11-36-38(27,34)35/h2-3,7,9-10,12,15,17,21,23,29,32H,4-6,8,11H2,1H3,(H2,27,34,35)(H,28,30,31)/t15-,17-,21+,23+/m1/s1 |
| InChI Key | LXRZVMYMQHNYJB-UNXOBOICSA-N |
| Transport Info | Product name: Subasumstat (TAK-981) |
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