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GB-6

CAT: 0931-T80266-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T80266-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2413262-74-3
Target
Bombesin Receptor, GRPR
Related Pathways
GPCR/G Protein
Bioactivity
GB-6, a short linear peptide that selectively binds to the gastrin releasing peptide receptor (GRPR), shows potential as a high-contrast imaging probe due to its tumor selectivity and specific accumulation. Overexpression of GRPR in pancreatic cancer enables GB-6, when labeled with near-infrared (NIR) fluorescent dyes or the radionuclide technetium-99m (99mTc), to serve as an effective agent for tumor visualization. Demonstrating excellent in vivo stability, GB-6 yields tumor to pancreatic and intestinal fluorescence signal ratios of 5.2 and 6.3, respectively, in SW1990 subcutaneous xenograft models. Its rapid tumor targeting capability and precise tumor boundary delineation signify GB-6's extensive potential for clinical applications [1].
Smiles
C([C@H](NC([C@H](CCC(N)=O)N)=O)C(NCCC(N[C@H](C(NCC(N[C@@H](CC1=CN=CN1)C(N)=O)=O)=O)CCC)=O)=O)C=2C=3C(NC2)=CC=C(O)C3
Molecular Formula
C32H45N11O8
Molecular Weight
711.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Gln-Trp(5-OH)-bAla-Nva-Gly-His-NH2
CAS Number2413262-74-3
PubChem CID168510682
IUPAC Name(2S)-2-amino-N-[(2S)-1-[[3-[[(2S)-1-[[2-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide
Molecular FormulaC32H45N11O8
Molecular Weight711.8
XLogP-2.7
Topological Polar Surface Area322
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Heavy Atom Count51
Formal Charge0
Complexity1240
SMILES
CCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N)NC(=O)CCNC(=O)[C@H](CC2=CNC3=C2C=C(C=C3)O)NC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C32H45N11O8/c1-2-3-23(31(50)39-15-28(47)42-24(29(35)48)11-18-14-36-16-40-18)41-27(46)8-9-37-32(51)25(43-30(49)21(33)5-7-26(34)45)10-17-13-38-22-6-4-19(44)12-20(17)22/h4,6,12-14,16,21,23-25,38,44H,2-3,5,7-11,15,33H2,1H3,(H2,34,45)(H2,35,48)(H,36,40)(H,37,51)(H,39,50)(H,41,46)(H,42,47)(H,43,49)/t21-,23-,24-,25-/m0/s1
InChIKey
MRBDDQRPZZFCHW-LFBFJMOVSA-N
Chemical Structure
2D Structure
2D structure of H-Gln-Trp(5-OH)-bAla-Nva-Gly-His-NH2
CAS: 2413262-74-3
CID: 168510682
Formula: C32H45N11O8
MW: 711.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight711.8
XLogP3-2.7
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count10
Rotatable Bond Count21
Exact Mass711.34525744
Monoisotopic Mass711.34525744
Topological Polar Surface Area322 Ų
Heavy Atom Count51
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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