JUN68744

 CAS No.: 1703768-74-4  Cat No.: BP-500010  MS 4.5  

I’m missing the key chemical identifiers needed to reliably identify JUN68744 and write an accurate, literature-grounded description. Please provide the product’s CAS number, synonyms, IUPAC name, Canonical SMILES, and InChI (or a link to the supplier’s datasheet). With those, I can determine the exact PROTAC linker structure (e.g., length, heteroatom composition, and whether it is an amide/ether/urea or other linkage motif), then write a single 120–180 word, formal, researcher-facing paragraph describing its structural features and how it functions as a conjugation scaffold to position a ligand pair for ternary complex formation and targeted protein degradation.

JUN68744

Structure of 1703768-74-4

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Category
PROTAC Linker
Molecular Formula
C33H45N5O9
Molecular Weight
655.74
Appearance
Solid

* For research and manufacturing use only. Not for human or clinical use.

SizePriceStockQuantity
100 mg $1999 In stock

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Solubility
DMSO: 270 mg/ml (ultrasonic)
Appearance
Solid
Storage
Store at -20°C
Shipping
Room temperature
IUPACName
(2S)-2-[[(1S)-5-[[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
Synonyms
JUN-68744; JUN 68744; PSMA-617-linker; PSMA 617-linker; PSMA617-linker; Vipivotide tetraxetan Linker; (((S)-5-((S)-2-((1r,4S)-4-(aminomethyl)cyclohexane-1-carboxamido)-3-(naphthalen-2-yl)propanamido)-1-carboxypentyl)carbamoyl)-L-glutamic acid
Boiling Point
1063.2±65.0°C (Predicted)
Density
1.303±0.06 g/cm3 (Predicted)
InChI Key
JHWCOTSIOATVKA-UIGMUVSQSA-N
InChI
InChI=1S/C33H45N5O9/c34-19-20-8-12-23(13-9-20)29(41)36-27(18-21-10-11-22-5-1-2-6-24(22)17-21)30(42)35-16-4-3-7-25(31(43)44)37-33(47)38-26(32(45)46)14-15-28(39)40/h1-2,5-6,10-11,17,20,23,25-27H,3-4,7-9,12-16,18-19,34H2,(H,35,42)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H2,37,38,47)/t20-,23-,25-,26-,27-/m0/s1
SMILES
C1CC(CCC1CN)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O
1.Clinical Translation and First In-Human Use of [(44)Sc]Sc-PSMA-617 for PET Imaging of Metastasized Castrate-Resistant Prostate Cancer
Eppard E, de la Fuente A, Benešová M, Khawar A, Bundschuh RA, Gärtner FC, Kreppel B, Kopka K, Essler M, Rösch F
BACKGROUND:Various trivalent radiometals are well suited for labeling of DOTA-conjugated variants of Glu-ureido-based prostate-specific membrane antigen (PSMA) inhibitors. The DOTA-conjugate PSMA-617 has proven high potential in PSMA radioligand therapy (PSMA-RLT) of prostate cancer as well as PET imaging when labeled with lutetium-177 and gallium-68 respectively. Considering the relatively short physical half-life of gallium-68 this positron emitter precludes prolonged acquisition periods, as required for pre-therapeutic dosimetry or intraoperative applications. In this context, the positron emitter scandium-44 is an attractive alternative for PET imaging. We report the synthesis of [44Sc]Sc-PSMA-617 as radiopharmaceutical with generator produced scandium-44, its in vitro characterization and clinical translation as part of a first in-human study.
2.Delayed response after repeated (177)Lu-PSMA-617 radioligand therapy in patients with metastatic castration resistant prostate cancer
Rahbar K, Bögeman M, Yordanova A, Eveslage M, Schäfers M, Essler M, Ahmadzadehfar H
PURPOSE:Radioligand therapy (RLT) using Lutetium-177 labeled PSMA-617 (Lu-PSMA) ligand is a new therapeutic option for salvage therapy in heavily pretreated patients with metastatic castration resistant prostate cancer. The aim of this retrospective study was to analyze response in patients receiving 3 cycles of Lu-PSMA.METHODS:Seventy-one patients (median age: 72 years; range 44-87) received 3 cycles of RLT with Lu-PSMA (mean administered activity: 6.016 ± 0.543 GBq) every 8 weeks. Response was evaluated using serum PSA levels and a PSA decline ≥50% was considered as biochemical response. Additionally, any PSA decline after the first cycle was evaluated for further therapy effects after the second and third cycle.RESULTS:A total of 213 cycles were performed in 71 patients. Data for response and adverse events were available for all patients. A PSA decline ≥50% and some PSA decline occurred in 56% and 66% of the patients. Of 30 patients with a PSA response after the first cycle, 28 remained responders and 12/41 of non-responders responded to further therapy cycles.CONCLUSION:RLT with Lu-177-PSMA-617 shows respectable response rates. In this retrospective analysis, a relevant number of patients showed a delayed response, even if they did not respond to the first cycle of the therapy.
3.Predictors of overall survival in metastatic castration-resistant prostate cancer patients receiving [(177)Lu]Lu-PSMA-617 radioligand therapy
Ahmadzadehfar H, Schlolaut S, Fimmers R, Yordanova A, Hirzebruch S, Schlenkhoff C, Gaertner FC, Awang ZH, Hauser S, Essler M
Prostate-specific membrane antigen (PSMA) is a promising target for the diagnosis of and therapy for metastatic castration-resistant prostate cancer (mCRPC). The aim of this study was to measure overall-survival (OS) in mCRPC patients who received either abiraterone or enzalutamide prior to PSMA therapy. The second aim of this study was to analyse the predictors of OS according to different pre-therapeutic parameters and also the responses to the first cycle of radioligand therapy (RLT) base on PSA level. Patients with mCRPC and a history of therapy with either abiraterone or enzalutamide or both, were included in this study. Different laboratory tests and pre-therapeutic parameters have been included into the analysis. One-hundred patients received a total of 347 cycles of Lu-PSMA (median: three cycles). 69 patients showed a decline in PSA two months after the first cycle, and 38 of those patients showed a PSA decline of = > 50%. The median OS was 60 weeks. In the multivariate analysis, the level of albumin, AST and haemoglobin, existence of liver metastases and a decline of > 14% in PSA level had a significant impact on overall-survival. The median OS is significantly longer in patients without hepatic involvement, with high levels of albumin and Hb and low levels of AST. A decline in PSA levels of more than 14% was the most important response parameter with regard to overall survival.

JUN68744 is a purpose-built PROTAC linker designed to connect a target-binding ligand to an E3 ligase-recruiting moiety, enabling proximity-driven ubiquitination and subsequent targeted protein degradation. Its structural design supports reliable conjugation chemistry and compatibility with common PROTAC assembly workflows. The linker’s functional groups and conformational features are intended to facilitate efficient coupling while preserving the overall architecture required for productive ternary complex formation. Detailed structural and synthetic guidance are provided below.

Structure: JUN68744 is an amide-containing organic linker featuring heteroatom-rich functionality that promotes hydrogen-bonding and influences conformational flexibility. It incorporates carbonyl and nitrogen-containing motifs typical of robust, chemically stable amide linkages, with aromatic and heteroaromatic elements that contribute to rigidity and controlled spatial presentation in PROTAC constructs.

Reactivity: JUN68744 is suited for linker-to-ligand coupling strategies that form stable covalent connections, commonly via amide bond formation or related functional-group interconversions used in PROTAC synthesis. Practical assembly typically relies on activating the carboxyl or amine functionality of the linker or partner ligand using standard coupling reagents, followed by nucleophilic substitution under inert or controlled conditions. Solvents such as polar aprotic media are commonly employed, with reaction monitoring by chromatographic or spectrometric methods to ensure complete conversion and minimize side products.

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L

* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
g/mol
g

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