(αS)-α-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S)-3-methyl-1-[[(2R)-2-methyl-2-oxiranyl]carbonyl]butyl]-L-phenylalaninamide (αS)-α-[(4-吗啉基乙酰基)氨基]苯丁酰基-L-亮氨酰-N-[(1S)-3-甲基-1-[[(2R)-2-甲基环氧乙烷基]羰基]丁基]-L-苯丙氨酰胺
CAS 868540-17-4 MFCD68540174
化学结构图
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
化学属性
| Density | 1.162 |
|---|---|
| Boiling Point | 975.6 |
| Melting Point | 204-208 |
| Mol. Weight | 719.91 |
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Synonym | PR171; PR-171; PR 171; Carflizomib. brand name: Kyprolis |
|---|---|
| Chemical Name Translation | (αS)-α-[(4-吗啉基乙酰基)氨基]苯丁酰基-L-亮氨酰-N-[(1S)-3-甲基-1-[[(2R)-2-甲基环氧乙烷基]羰基]丁基]-L-苯丙氨酰胺 |
| Chemical Name | (αS)-α-[[2-(4-Morpholinyl)acetyl]amino]benzenebutanoyl-L-leucyl-N-[(1S)-3-methyl-1-[[(2R)-2-methyl-2-oxiranyl]carbonyl]butyl]-L-phenylalaninamide |
| Formula | C40H57N5O7 |
| IUPAC Name | (S)-4-methyl-N-((S)-1-((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamide |
| InChIKey | BLMPQMFVWMYDKT-NZTKNTHTSA-N |
| InChI | InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1 |
| Canonical SMILES | CC(C)C[C@H](NC([C@@H](NC(CN1CCOCC1)=O)CCC2=CC=CC=C2)=O)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC(C)C)C([C@]4(C)OC4)=O)=O)=O. |
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产品应用
- Carfilzomib, also known as PR-171, is a tetrapeptide epoxyketone and an epoxomicin derivate with potential antineoplastic activity. Carfilzomib irreversibly binds to and inhibits the chymotrypsin-like activity of the 20S proteasome, an enzyme responsible for degrading a large variety of cellular proteins. Inhibition of proteasome-mediated proteolysis results in an accumulation of polyubiquinated proteins, which may lead to cell cycle arrest, induction of apoptosis, and inhibition of tumor growth. Carfilzomib was approved by the FDA for use in patients with relapsed and refractory multiple myeloma on 20 July 2012.
安全信息
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