Biology:Adegramotide

Adegramotide
Legal status
Legal status	experimental;
Identifiers
	IUPAC name L-tryptophyl-L-alanyl-L-prolyl-L-valyl-L-leucyl-L-alpha-aspartyl-L-phenylalanyl-L-alanyl-L-prolyl-L-prolyl-glycyl-L-alanyl-L-seryl-L-alanyl-L-tyrosyl-glycyl-L-seryl-L-leucine;
CAS Number	1252802-98-4;
PubChem CID	121488164;
ChemSpider	59651405;
UNII	4XQ7W02EQ0;
KEGG	D11057;
Chemical and physical data
Formula	C87H123N19O24
Molar mass	1819.050 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](C)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)N;
	InChI InChI=InChI=1S/C87H123N19O24/c1-44(2)33-58(100-83(125)71(46(5)6)103-82(124)66-24-17-30-104(66)84(126)49(9)94-74(116)56(88)37-53-39-89-57-22-15-14-21-55(53)57)77(119)99-61(38-70(112)113)78(120)98-60(35-51-19-12-11-13-20-51)76(118)95-50(10)85(127)106-32-18-25-67(106)86(128)105-31-16-23-65(105)81(123)91-40-68(110)92-47(7)72(114)102-64(43-108)79(121)93-48(8)73(115)97-59(36-52-26-28-54(109)29-27-52)75(117)90-41-69(111)96-63(42-107)80(122)101-62(87(129)130)34-45(3)4/h11-15,19-22,26-29,39,44-50,56,58-67,71,89,107-109H,16-18,23-25,30-38,40-43,88H2,1-10H3,(H,90,117)(H,91,123)(H,92,110)(H,93,121)(H,94,116)(H,95,118)(H,96,111)(H,97,115)(H,98,120)(H,99,119)(H,100,125)(H,101,122)(H,102,114)(H,103,124)(H,112,113)(H,129,130)/t47-,48-,49-,50-,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-/m0/s1; Key:QMUKFZMAYHSADK-MZDDNWLQSA-N;

Short description: Experimental cancer drug

Adegramotide (DSP-7888) is an experimental drug intended for treatment of glioblastoma multiforme.^[1] It is a peptide vaccine and, as of 2017, in phase II clinical trials.^[2]^[3]

References

↑ "Multicenter, Open-Label, Phase I Study of DSP-7888 Dosing Emulsion in Patients with Advanced Malignancies". Targeted Oncology 16 (4): 461–469. July 2021. doi:10.1007/s11523-021-00813-6. PMID 33939067.
↑ Boston Biomedical (11 May 2017). A Study of DSP-7888 Dosing Emulsion in Combination With Bevacizumab in Patients With Recurrent or Progressive Glioblastoma Following Initial Therapy. U.S. National Library of Medicine. https://clinicaltrials.gov/ct2/show/NCT03149003.
↑ "Adegrapepimut-S" (in en). https://pubchem.ncbi.nlm.nih.gov/compound/121488164.

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Original source: https://en.wikipedia.org/wiki/Adegramotide. Read more

[pmid33939067-1] "Multicenter, Open-Label, Phase I Study of DSP-7888 Dosing Emulsion in Patients with Advanced Malignancies". Targeted Oncology 16 (4): 461–469. July 2021. doi:10.1007/s11523-021-00813-6. PMID 33939067.

[2] Boston Biomedical (11 May 2017). A Study of DSP-7888 Dosing Emulsion in Combination With Bevacizumab in Patients With Recurrent or Progressive Glioblastoma Following Initial Therapy. U.S. National Library of Medicine. https://clinicaltrials.gov/ct2/show/NCT03149003.

[3] "Adegrapepimut-S" (in en). https://pubchem.ncbi.nlm.nih.gov/compound/121488164.

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Legal status

Legal status	experimental
Identifiers
IUPAC name L-tryptophyl-L-alanyl-L-prolyl-L-valyl-L-leucyl-L-alpha-aspartyl-L-phenylalanyl-L-alanyl-L-prolyl-L-prolyl-glycyl-L-alanyl-L-seryl-L-alanyl-L-tyrosyl-glycyl-L-seryl-L-leucine
CAS Number	1252802-98-4
PubChem CID	121488164
ChemSpider	59651405
UNII	4XQ7W02EQ0
KEGG	D11057
Chemical and physical data
Formula	C₈₇H₁₂₃N₁₉O₂₄
Molar mass	1819.050 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=O)[C@H](C)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)N
InChI InChI=InChI=1S/C87H123N19O24/c1-44(2)33-58(100-83(125)71(46(5)6)103-82(124)66-24-17-30-104(66)84(126)49(9)94-74(116)56(88)37-53-39-89-57-22-15-14-21-55(53)57)77(119)99-61(38-70(112)113)78(120)98-60(35-51-19-12-11-13-20-51)76(118)95-50(10)85(127)106-32-18-25-67(106)86(128)105-31-16-23-65(105)81(123)91-40-68(110)92-47(7)72(114)102-64(43-108)79(121)93-48(8)73(115)97-59(36-52-26-28-54(109)29-27-52)75(117)90-41-69(111)96-63(42-107)80(122)101-62(87(129)130)34-45(3)4/h11-15,19-22,26-29,39,44-50,56,58-67,71,89,107-109H,16-18,23-25,30-38,40-43,88H2,1-10H3,(H,90,117)(H,91,123)(H,92,110)(H,93,121)(H,94,116)(H,95,118)(H,96,111)(H,97,115)(H,98,120)(H,99,119)(H,100,125)(H,101,122)(H,102,114)(H,103,124)(H,112,113)(H,129,130)/t47-,48-,49-,50-,56-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-/m0/s1 Key:QMUKFZMAYHSADK-MZDDNWLQSA-N

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