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DOTA-GPC3 targeting peptide 2

CAT: 0804-HY-W1124925-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W1124925-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DOTA-GPC3 targeting peptide 2 is an RDC peptide. DOTA-GPC3 targeting peptide 2 consists of DOTA and GPC3 targeting peptide 2. DOTA-GPC3 targeting peptide 2 can be radiolabeled. GPC3 targeting peptide 2 (Seq30) binds to GPC3 at a Kd of 0.3 nM[1].
CAS Number
3066439-94-6
UNSPSC
12352005
Target
Glycoprotein VI; Radionuclide-Drug Conjugates (RDCs)
Related Pathways
Antibody-drug Conjugate/ADC Related; Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Others
Purity
99.04
Solubility
DMSO : ≥ 100 mg/mL
Smiles
CN(C([C@@H](NC([C@](NC([C@](NC([C@@H](NC([C@@H](N(C([C@@H](NC([C@](N(C([C@@H](N(C(CSC[C@H](N(C([C@@H](NC(CNC1=O)=O)CC2=CN=C(C3=CC=CC=C3)C=C2)=O)C)C(N)=O)=O)C)CCCCNC(CN4CCN(CCN(CCN(CC4)CC(O)=O)CC(O)=O)CC(O)=O)=O)=O)C)([H])[C@@H](C)CC)=O)CC(O)=O)=O)C)CCC(N)=O)=O)CC5=CC=C(C=C5)C(O)=O)=O)([H])[C@@H](C)OC)=O)([H])[C@@H](C)CC)=O)CC6=CC=C(C=C6)OCC(O)=O)=O)[C@H]1CC7=CC8=C(C=CN=C8)C=C7
Molecular Formula
C107H145N21O29S
Molecular Weight
2221.48
References & Citations
[1]Takeru Ehara, et al. Peptide compositions targeting glypican-3 and uses thereof. WO2024252336A1. WIPO (PCT) . 2024-06-06.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

GPC3 peptide
CAS Number3066439-94-6
PubChem CID176453910
IUPAC Name4-[[(5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38R)-14-(3-amino-3-oxopropyl)-8,23-bis[(2S)-butan-2-yl]-38-carbamoyl-26-[[4-(carboxymethoxy)phenyl]methyl]-11-(carboxymethyl)-29-(isoquinolin-7-ylmethyl)-20-[(1R)-1-methoxyethyl]-4,7,13,28,37-pentamethyl-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxo-35-[(6-phenyl-3-pyridinyl)methyl]-5-[4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]butyl]-1-thia-4,7,10,13,16,19,22,25,28,31,34,37-dodecazacyclononatriacont-17-yl]methyl]benzoic acid
Molecular FormulaC107H145N21O29S
Molecular Weight2221.5
XLogP-6.9
Topological Polar Surface Area727
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count36
Rotatable Bond Count38
Heavy Atom Count158
Formal Charge0
Complexity4790
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)N([C@@H](CSCC(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)OC)CC2=CC=C(C=C2)C(=O)O)CCC(=O)N)C)CC(=O)O)[C@@H](C)CC)C)CCCCNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)O)CC(=O)O)CC(=O)O)C)C(=O)N)C)CC4=CN=C(C=C4)C5=CC=CC=C5)CC6=CC7=C(C=C6)C=CN=C7)C)CC8=CC=C(C=C8)OCC(=O)O
InChI
InChI=1S/C107H145N21O29S/c1-12-63(3)93-100(147)116-78(49-67-25-31-74(32-26-67)157-60-92(141)142)104(151)122(8)82(51-68-24-28-70-36-38-110-54-73(70)47-68)98(145)113-55-85(130)114-77(50-69-27-33-75(112-53-69)71-19-15-14-16-20-71)103(150)123(9)83(96(109)143)61-158-62-87(132)120(6)81(21-17-18-37-111-86(131)56-125-39-41-126(57-89(135)136)43-45-128(59-91(139)140)46-44-127(42-40-125)58-90(137)138)106(153)124(10)95(64(4)13-2)102(149)117-79(52-88(133)134)105(152)121(7)80(34-35-84(108)129)99(146)115-76(48-66-22-29-72(30-23-66)107(154)155)97(144)119-94(65(5)156-11)101(148)118-93/h14-16,19-20,22-33,36,38,47,53-54,63-65,76-83,93-95H,12-13,17-18,21,34-35,37,39-46,48-52,55-62H2,1-11H3,(H2,108,129)(H2,109,143)(H,111,131)(H,113,145)(H,114,130)(H,115,146)(H,116,147)(H,117,149)(H,118,148)(H,119,144)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,154,155)/t63-,64-,65+,76-,77-,78-,79-,80-,81-,82-,83-,93-,94-,95-/m0/s1
InChIKey
KMKDVRYUNUHHJU-XLIZIZITSA-N
Chemical Structure
2D Structure
2D structure of GPC3 peptide
CAS: 3066439-94-6
CID: 176453910
Formula: C107H145N21O29S
MW: 2221.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2221.5
XLogP3-6.9
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count36
Rotatable Bond Count38
Exact Mass2221.0271337
Monoisotopic Mass2220.0237788
Topological Polar Surface Area727 Ų
Heavy Atom Count158
Formal Charge0
Complexity4790
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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