MedKoo Cat#: 208286 | Name: NTR-responsive PROTAC 17-1

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Compound 17-1 was the first NTR-responsive PROTAC synthesized by incorporating the caging group on the Von Hippel-Lindau (VHL) E3 ubiquitin ligase ligand. It could be activated by NTR to release the active PROTAC 17 to efficiently degrade the EGFR protein and subsequently exert antitumor efficacy. Thus, a general strategy for the precise control of PROTAC to induce POI degradation in tumor tissues by NTR was established, which provided a generalizable platform for the development of NTR-controlled PROTACs to achieve selective degradation.

Chemical Structure

NTR-responsive PROTAC 17-1
NTR-responsive PROTAC 17-1
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 208286

Name: NTR-responsive PROTAC 17-1

CAS#: unknown

Chemical Formula: C64H77ClFN15O12S

Exact Mass: 1333.5269

Molecular Weight: 1334.92

Elemental Analysis: C, 57.58; H, 5.81; Cl, 2.66; F, 1.42; N, 15.74; O, 14.38; S, 2.40

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
NTRresponsive PROTAC 17-1, NTRresponsive PROTAC 171, NTR-responsive PROTAC 171
IUPAC/Chemical Name
(3R,5S)-1-((S)-2-(2-(2-(2-(4-(5-((4-((3-Chloro-4-fluorophenyl)amino)-6-((E)-4-(piperidin-1-yl)but-2-enamido)quinazolin-7-yl)oxy)pentyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)acetamido)-3,3-dimethylbutanoyl)-5-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-3-yl ((1-methyl-2-nitro-1H-imidazol-5-yl)methyl) carbonate
InChi Key
IRRGJZSUOXQEOX-NLNVYHHQSA-N
InChi Code
InChI=1S/C64H77ClFN15O12S/c1-41-57(94-40-71-41)43-17-15-42(16-18-43)33-67-60(84)53-30-47(93-63(86)92-37-46-34-68-62(77(46)5)81(87)88)36-80(53)61(85)58(64(2,3)4)74-56(83)38-90-28-27-89-26-24-79-35-45(75-76-79)13-8-6-11-25-91-54-32-51-48(59(70-39-69-51)72-44-19-20-50(66)49(65)29-44)31-52(54)73-55(82)14-12-23-78-21-9-7-10-22-78/h12,14-20,29,31-32,34-35,39-40,47,53,58H,6-11,13,21-28,30,33,36-38H2,1-5H3,(H,67,84)(H,73,82)(H,74,83)(H,69,70,72)/b14-12+/t47-,53+,58-/m1/s1
SMILES Code
ClC1=C(F)C=CC(NC2=NC=NC3=CC(OCCCCCC4=CN(CCOCCOCC(N[C@@H](C(C)(C)C)C(N5C[C@H](OC(OCC6=CN=C([N+]([O-])=O)N6C)=O)C[C@H]5C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)N=N4)=C(NC(/C=C/CN9CCCCC9)=O)C=C23)=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,334.92 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Shi S, Du Y, Zou Y, Niu J, Cai Z, Wang X, Qiu F, Ding Y, Yang G, Wu Y, Xu Y, Zhu Q. Rational Design for Nitroreductase (NTR)-Responsive Proteolysis Targeting Chimeras (PROTACs) Selectively Targeting Tumor Tissues. J Med Chem. 2022 Mar 24;65(6):5057-5071. doi: 10.1021/acs.jmedchem.1c02221. Epub 2022 Feb 17. PMID: 35175763.