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SP94

CAT: 0931-TP3858-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3858-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1158983-49-3
Target
Apoptosis
Related Pathways
Apoptosis
Bioactivity
SP94 is a peptide ligand with high specificity for hepatocellular carcinoma cells. It selectively binds to various hepatocellular carcinoma cell lines in vitro. In mouse models of hepatocellular carcinoma, SP94 inhibits tumor growth by promoting tumor cell apoptosis (apoptosis) and reducing tumor angiogenesis. SP94 can serve as a specific probe for imaging hepatocellular carcinoma and is applicable in hepatocellular carcinoma research.
Smiles
C([C@@H](NC([C@@H](NC(=O)[C@H]1N(C([C@@H](NC([C@H](CC2=CN=CN2)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC3=CC=CC=C3)NC([C@H](CO)N)=O)=O)CO)=O)[C@H](CC)C)=O)[C@H](CC)C)=O)=O)[C@@H](C)O)=O)CCC1)[C@H](CC)C)=O)CC(C)C)(=O)N4[C@H](C(N[C@@H](CC(C)C)C(O)=O)=O)CCC4
Molecular Formula
C65H104N14O16
Molecular Weight
1337.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Ser-Phe-Ser-Ile-Ile-His-Thr-Pro-Ile-Leu-Pro-Leu-OH
CAS Number1158983-49-3
PubChem CID178203531
IUPAC Name(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
Molecular FormulaC65H104N14O16
Molecular Weight1337.6
XLogP0.1
Topological Polar Surface Area455
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count18
Rotatable Bond Count38
Heavy Atom Count95
Formal Charge0
Complexity2590
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CO)N
InChI
InChI=1S/C65H104N14O16/c1-12-36(8)50(61(90)71-45(26-34(4)5)63(92)78-24-18-22-48(78)58(87)72-46(65(94)95)27-35(6)7)75-59(88)49-23-19-25-79(49)64(93)53(39(11)82)77-56(85)44(29-41-30-67-33-68-41)70-60(89)51(37(9)13-2)76-62(91)52(38(10)14-3)74-57(86)47(32-81)73-55(84)43(69-54(83)42(66)31-80)28-40-20-16-15-17-21-40/h15-17,20-21,30,33-39,42-53,80-82H,12-14,18-19,22-29,31-32,66H2,1-11H3,(H,67,68)(H,69,83)(H,70,89)(H,71,90)(H,72,87)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,85)(H,94,95)/t36-,37-,38-,39+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
InChIKey
CTTSRSGCKHNIRL-SBNPQCCPSA-N
Chemical Structure
2D Structure
2D structure of H-Ser-Phe-Ser-Ile-Ile-His-Thr-Pro-Ile-Leu-Pro-Leu-OH
CAS: 1158983-49-3
CID: 178203531
Formula: C65H104N14O16
MW: 1337.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1337.6
XLogP30.1
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count18
Rotatable Bond Count38
Exact Mass1336.77547329
Monoisotopic Mass1336.77547329
Topological Polar Surface Area455 Ų
Heavy Atom Count95
Formal Charge0
Complexity2590
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19144663-01SP94
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GTR19264952-01DSPE-PEG3400-SP94
MPL0540KDSPE-PEG-SP94
HY-P11050SP94 peptide, Cys conjugated
PVT67495PT7-6xHis-sp94-GPC3 Plasmid
P53379PT7-6xHis-sp94-GPC3 (human)
S01YF-0823-KX422SP94-PEG2000-PLGA30000 (75/25)

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