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Chemical structure of DOTA-JR11

GC74394

DOTA-JR11

Also known as 2-[4-[2-[[(2S)-1-[[(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-4-[[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-13-[[4-(carbamoylamino)phenyl]methyl]-16-[[4-[[(4S)-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]phenyl]methyl]-7-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

DOTA-JR11 is a somatostatin receptor 2 (SSTR2)antagonist

ChemicalCAS1039726-31-2MW1689.27FormulaC74H98ClN19O21S2
CAS number
1039726-31-2
Molecular weight
1689.27
Formula
C74H98ClN19O21S2
Solubility
DMSO ： 25 mg/mL (14·80 mM; Need ultrasonic)
InChIKey
ZJZDXGQUNVNYQP-MXEXKMKYSA-N
Catalogue number
GC74394
Brand
GLPBIO
Computed properties PubChem CID 24894654 · XLogP -8.5 · TPSA 660 Ų · H-bond donors 20
XLogP
-8.5
TPSA
660 Ų
H-bond donors
20
H-bond acceptors
28
Rotatable bonds
30
Heavy atoms
117

SMILES C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CC=C(C=C2)NC(=O)N)CC3=CC=C(C=C3)NC(=O)[C@@H]4CC(=O)NC(=O)N4)NC(=O)[C@H](CC5=CC=C(C=C5)Cl)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CC7=CC=C(C=C7)O)C(=O)N)O

Computed descriptors from PubChem (CID 24894654), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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