Peptide Information
General Information of This Peptide
| Peptide ID |
PEP00141
|
|||||
|---|---|---|---|---|---|---|
| Peptide Name |
M1-RGD
|
|||||
| Structure |
|
|||||
| Sequence |
TFYGGRPKRNNFLRGIRSRGD
|
|||||
| Peptide Type |
Linear
|
|||||
| PDC Transmembrane Types | Cell-penetrating peptides (CPPs) | |||||
| Formula |
C107H171N39O29
|
|||||
| Isosmiles |
[H]NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC/N=C(\N)N[H])NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O[H])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(N[H])[C@@H](C)O[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)NCC(=O)N[C@]([H])(C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)N[C@@H](CO[H])C(=O)N[C@@H](CCC/N=C(\N)N[H])C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC
|
|||||
| InChI |
InChI=1S/C107H171N39O29/c1-6-56(4)85(100(172)137-66(29-18-40-125-106(118)119)91(163)144-75(54-147)97(169)134-63(27-16-38-123-104(114)115)87(159)129-52-81(154)132-74(102(174)175)49-83(156)157)145-82(155)53-130-86(158)62(26-15-37-122-103(112)113)133-92(164)68(43-55(2)3)138-93(165)70(44-58-21-9-7-10-22-58)140-95(167)73(48-78(110)151)142-96(168)72(47-77(109)150)141-90(162)65(28-17-39-124-105(116)117)135-89(161)64(25-13-14-36-108)136-98(170)76-31-20-42-146(76)101(173)67(30-19-41-126-107(120)121)131-80(153)51-127-79(152)50-128-88(160)69(46-60-32-34-61(149)35-33-60)139-94(166)71(45-59-23-11-8-12-24-59)143-99(171)84(111)57(5)148/h7-12,21-24,32-35,55-57,62-76,84-85,147-149H,6,13-20,25-31,36-54,108,111H2,1-5H3,(H2,109,150)(H2,110,151)(H,127,152)(H,128,160)(H,129,159)(H,130,158)(H,131,153)(H,132,154)(H,133,164)(H,134,169)(H,135,161)(H,136,170)(H,137,172)(H,138,165)(H,139,166)(H,140,167)(H,141,162)(H,142,168)(H,143,171)(H,144,163)(H,145,155)(H,156,157)(H,174,175)(H4,112,113,122)(H4,114,115,123)(H4,116,117,124)(H4,118,119,125)(H4,120,121,126)/t56-,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,84-,85-/m0/s1
|
|||||
| InChIKey |
AVLOGIQNFHIXJX-CHPYITEUSA-N
|
|||||
| Pharmaceutical Properties |
Molecule Weight
|
2467.789
|
Polar area
|
1168.72
|
||
|
Complexity
|
2466.31049
|
xlogp Value
|
-15.3524
|
|||
|
Heavy Count
|
175
|
Rot Bonds
|
87
|
|||
|
Hbond acc
|
34
|
Hbond Donor
|
38
|
|||
Each Peptide-drug Conjugate Related to This Peptide
Full Information of The Activity Data of The PDC(s) Related to This Peptide
M1-RGD-PTX [Investigative]
Discovered Using Cell Line-derived Xenograft Model
| Experiment 1 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Glioma | ||||
| Efficacy Data | Percent survival |
20%
|
|||
| Administration Time | 25 days | ||||
| Administration Dosage | Normalized to 17.3 mg/kg PTX | ||||
| Description |
The survival of the PTX group was markedly lower than that of the Vehicle group. M1-PTX did not improve survival, whereas the survival of the M1-RGD-PTX group was increased.
|
||||
| In Vivo Model | U87MG-Luc-bearing xenograft model. | ||||
| In Vitro Model | Glioblastoma | U87MG-Luc cell | CVCL_5J15 | ||
| Experiment 2 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Triple-negative breast cancer | ||||
| Efficacy Data | Percent survival |
50%
|
|||
| Administration Time | 20 days | ||||
| Administration Dosage | 44 mg/kg | ||||
| Description |
PTX did not increase survival, while the PDC M1-RGD-PTX markedly increased survival.
|
||||
| In Vivo Model | MDA-MB-231BR mouse model. | ||||
| In Vitro Model | Breast adenocarcinoma | MDA-MB-231 cell | CVCL_0062 | ||
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Glioma | ||||
| Efficacy Data | Median lethal dose (LD50) |
152 mg/kg
|
|||
| Administration Time | 24 h | ||||
| Administration Dosage | 100 nM | ||||
| Description |
The fitted LD50 for M1-RGD-PTX was 152 mg/kg (equivalent to 60 mg/kg PTX).
|
||||
| In Vitro Model | Glioblastoma | U-87MG cell | CVCL_0022 | ||
| Experiment 2 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Glioma | ||||
| Efficacy Data | Cell viability |
55%
|
|||
| Administration Time | 24 h | ||||
| Administration Dosage | 100 nM | ||||
| Evaluation Method | MTS assay | ||||
| Description |
Both PDCs showed higher in vitro cytotoxicity than free PTX.
|
||||
| In Vitro Model | Glioblastoma | U-87MG cell | CVCL_0022 | ||
References