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HER2-targeted peptide H6F

CAT: 0931-TP3055-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3055-01Size:10 mg
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CAS Number
1644155-35-0
Target
EGFR
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, JAK/STAT signaling
Bioactivity
HER2-targeted peptide H6F is a molecule designed to bind to HER2 and target breast cancer cells, characterized by the amino acid sequence YLFFVFER. It can conjugate with the bifunctional chelator hydrazinonicotinamide (HYNIC) for binding with 99mTc for radiolabeling purposes. Single-photon emission computed tomography (SPECT) imaging demonstrates that the radiolabeled HER2-targeted peptide H6F specifically accumulates in HER2-positive MDA-MB-453 tumor-bearing mouse models. This peptide is useful for studies in tumor molecular imaging.
Smiles
[C@H](NC([C@H](CC1=CC=CC=C1)NC([C@@H](NC([C@H](CC2=CC=C(O)C=C2)N)=O)CC(C)C)=O)=O)(CC3=CC=CC=C3)C(N[C@H](C(N[C@@H](CC4=CC=CC=C4)C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(O)=O)=O)CCC(O)=O)=O)=O)C(C)C)=O
Molecular Formula
C58H77N11O12
Molecular Weight
1120.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

HER2-targeted peptide H6F
CAS Number1644155-35-0
PubChem CID122216055
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-5-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-5-oxopentanoic acid
Molecular FormulaC58H77N11O12
Molecular Weight1120.3
XLogP1.8
Topological Polar Surface Area389
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count33
Heavy Atom Count81
Formal Charge0
Complexity2060
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
InChI
InChI=1S/C58H77N11O12/c1-34(2)29-44(65-50(73)41(59)30-39-22-24-40(70)25-23-39)52(75)66-45(31-36-15-8-5-9-16-36)54(77)67-47(33-38-19-12-7-13-20-38)55(78)69-49(35(3)4)56(79)68-46(32-37-17-10-6-11-18-37)53(76)63-42(26-27-48(71)72)51(74)64-43(57(80)81)21-14-28-62-58(60)61/h5-13,15-20,22-25,34-35,41-47,49,70H,14,21,26-33,59H2,1-4H3,(H,63,76)(H,64,74)(H,65,73)(H,66,75)(H,67,77)(H,68,79)(H,69,78)(H,71,72)(H,80,81)(H4,60,61,62)/t41-,42-,43-,44-,45-,46-,47-,49-/m0/s1
InChIKey
RJIKFKBBRVNKTK-VJLREGLUSA-N
Chemical Structure
2D Structure
2D structure of HER2-targeted peptide H6F
CAS: 1644155-35-0
CID: 122216055
Formula: C58H77N11O12
MW: 1120.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1120.3
XLogP31.8
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count14
Rotatable Bond Count33
Exact Mass1119.57531693
Monoisotopic Mass1119.57531693
Topological Polar Surface Area389 Ų
Heavy Atom Count81
Formal Charge0
Complexity2060
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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