L-Serine,N2-[1,4-dioxo-4-[[4-(4-oxo-8-phenyl-4H-1-benzopyran-2-yl)MorpholiniuM-4-yl]Methoxy]butyl]-L-arginylglycyl-L-a-aspartyl-,innersalt N2-[1,4-二氧代-4-[[4-(4-氧代-8-苯基-4H-1-苯并吡喃-2-基)吗啉-4-基]甲氧基]丁基]-L-精氨酰甘氨酰-L-ALPHA-天冬氨酰-L-丝氨酸内盐
CAS 936487-67-1 MFCD036487671
化学结构图
SMILES: N=C(N)NCCC[C@H](NC(=O)CCC(=O)OC[N+]1(c2cc(=O)c3cccc(-c4ccccc4)c3o2)CCOCC1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)[O-]
化学属性
| Mol. Formula | C39H48N8O14 |
|---|---|
| Mol. Weight | 852.84 |
| Appearance | White to off-white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | SF1126 |
|---|---|
| Chemical Name Translation | N2-[1,4-二氧代-4-[[4-(4-氧代-8-苯基-4H-1-苯并吡喃-2-基)吗啉-4-基]甲氧基]丁基]-L-精氨酰甘氨酰-L-ALPHA-天冬氨酰-L-丝氨酸内盐 |
| Chemicalbook ID | CB72628050 |
| Formula | C39H48N8O14 |
| Synonym | SF-1126, SF1126, SF 1126 |
| IUPAC Name | (6Z,8S,9Z,12Z,14S,15Z,17S)-14-(carboxymethyl)-8-(3-guanidinopropyl)-6,9,12,15-tetrahydroxy-17-(hydroxymethyl)-3-oxo-1-(4-(4-oxo-8-phenyl-4H-chromen-2-yl)morpholino-4-ium)-2-oxa-7,10,13,16-tetraazaoctadeca-6,9,12,15-tetraen-18-oate |
| InChIKey | SVNJBEMPMKWDCO-KCHLEUMXSA-N |
| InChI | InChI=1S/C39H48N8O14/c40-39(41)42-13-5-10-26(36(55)43-20-31(51)45-27(18-33(52)53)37(56)46-28(21-48)38(57)58)44-30(50)11-12-34(54)60-22-47(14-16-59-17-15-47)32-19-29(49)25-9-4-8-24(35(25)61-32)23-6-2-1-3-7-23/h1-4,6-9,19,26-28,48H,5,10-18,20-22H2,(H9-,40,41,42,43,44,45,46,50,51,52,53,55,56,57,58)/t26-,27-,28-/m0/s1 |
| Canonical SMILES | O=C([O-])[C@H](CO)NC([C@H](CC(O)=O)NC(CNC([C@H](CCCNC(N)=N)NC(CCC(OC[N+]1(C2=CC(C3=C(O2)C(C4=CC=CC=C4)=CC=C3)=O)CCOCC1)=O)=O)=O)=O)=O |
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产品应用
- SF1126 is a water soluble, small-molecule prodrug containing the pan-PI3K/mTOR inhibitor LY294002/SF1101 conjugated to the RGD-containing tetra-peptide SF1174 with potential antineoplastic and antiangiogenic activities. The targeting peptide SF1174 moiety of pan-PI3K/mTOR inhibitor SF1126 selectively binds to cell surface integrins and, upon cell entry, the agent is hydrolyzed to the active drug SF1101; SF1101 selectively inhibits all isoforms of phosphoinositide-3-kinase (PI3K) and other members of the PI3K superfamily, such as the mammalian target of rapamycin (mTOR) and DNA-PK.
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