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NOTA-P2-RM26

CAT: 0013-GTR19241649-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241649-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NOTA-P2-RM26 is a bombesin antagonist conjugate with high affinity for the Gastrin-Releasing Peptide Receptor (GRPR) . It is designed for targeted imaging of GRPR-expressing tumors, such as prostate and breast cancers, in preclinical in vitro and in vivo research models.
CAS Number
1446005-10-2
Field of Research
Pharmacology & Drug Discovery
Smiles
C ([C@H] (NC ([C@@H] (NC ([C@@H] (CC1=CC=CC=C1) NC (COCCOCCNC (CN2CCN (CC (O) =O) CCN (CC (O) =O) CC2) =O) =O) =O) CCC (N) =O) =O) C (N[C@H] (C (N[C@H] (C (NCC (N[C@@H] (CC3=CN=CN3) C (N[C@H] ([C@H] (CC (N[C@@H] (CC (C) C) C (N) =O) =O) O) CC (C) C) =O) =O) =O) [C@H] (C) C) =O) C) =O) C=4C=5C (NC4) =CC=CC5
Molecular Formula
C73H110N18O19
Molecular Weight
1543.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nota-P2-RM26
CAS Number1446005-10-2
PubChem CID72188813
IUPAC Name2-[4-[2-[2-[2-[2-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(3S,4S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
Molecular FormulaC73H110N18O19
Molecular Weight1543.8
XLogP-5.1
Topological Polar Surface Area545
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count23
Rotatable Bond Count48
Heavy Atom Count110
Formal Charge0
Complexity2990
SMILES
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)COCCOCCNC(=O)CN5CCN(CCN(CC5)CC(=O)O)CC(=O)O
InChI
InChI=1S/C73H110N18O19/c1-43(2)29-53(58(92)34-60(94)82-54(67(75)102)30-44(3)4)86-72(107)57(33-49-36-76-42-80-49)83-61(95)37-79-73(108)66(45(5)6)88-68(103)46(7)81-70(105)56(32-48-35-78-51-16-12-11-15-50(48)51)87-69(104)52(17-18-59(74)93)85-71(106)55(31-47-13-9-8-10-14-47)84-63(97)41-110-28-27-109-26-19-77-62(96)38-89-20-22-90(39-64(98)99)24-25-91(23-21-89)40-65(100)101/h8-16,35-36,42-46,52-58,66,78,92H,17-34,37-41H2,1-7H3,(H2,74,93)(H2,75,102)(H,76,80)(H,77,96)(H,79,108)(H,81,105)(H,82,94)(H,83,95)(H,84,97)(H,85,106)(H,86,107)(H,87,104)(H,88,103)(H,98,99)(H,100,101)/t46-,52-,53-,54-,55+,56-,57-,58-,66-/m0/s1
InChIKey
MZMIUKVXOOFRJV-MXOQNATHSA-N
Chemical Structure
2D Structure
2D structure of Nota-P2-RM26
CAS: 1446005-10-2
CID: 72188813
Formula: C73H110N18O19
MW: 1543.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1543.8
XLogP3-5.1
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count23
Rotatable Bond Count48
Exact Mass1542.81946335
Monoisotopic Mass1542.81946335
Topological Polar Surface Area545 Ų
Heavy Atom Count110
Formal Charge0
Complexity2990
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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