ZRN87951
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MedKoo CAT#: 121178

CAS#: 2421187-95-1

Description: ZRN87951, also known as (S,R,S)-AHPC-C6-PEG1-C3-PEG1-butyl azide, is a ProTAC building block. This conjugate contains a von Hippel-Lindau (VHL)-recruiting ligand, a linker with both hydrophobic and hydrophilic moieties, and a pendant azide for click chemistry with a target ligand. When used with other protein degrader building blocks with a pendant azide group, parallel synthesis can be used to more quickly generate ProTAC libraries that feature variation in crosslinker length, composition, and E3 ligase ligand. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

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ZRN87951
CAS# 2421187-95-1
Instruction

Theoretical Analysis

MedKoo Cat#: 121178
Name: ZRN87951
CAS#: 2421187-95-1
Chemical Formula: C39H61N7O6S
Exact Mass: 755.44
Molecular Weight: 756.020
Elemental Analysis: C, 61.96; H, 8.13; N, 12.97; O, 12.70; S, 4.24

Price and Availability

Size Price Availability Quantity
50mg USD 915 2 Weeks
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Synonym: (S,R,S)-AHPC-C6-PEG1-C3-PEG1-butyl azide

IUPAC/Chemical Name: (2S,4R)-1-((S)-2-(6-((5-((6-Azidohexyl)oxy)pentyl)oxy)hexanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

InChi Key: ZWNYCYBADNWFRK-RWTOGVPBSA-N

InChi Code: InChI=1S/C39H61N7O6S/c1-29-35(53-28-42-29)31-18-16-30(17-19-31)26-41-37(49)33-25-32(47)27-46(33)38(50)36(39(2,3)4)44-34(48)15-9-7-12-22-52-24-14-8-13-23-51-21-11-6-5-10-20-43-45-40/h16-19,28,32-33,36,47H,5-15,20-27H2,1-4H3,(H,41,49)(H,44,48)/t32-,33+,36-/m1/s1

SMILES Code: O=C(N[C@H](C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)C(C)(C)C)CCCCCOCCCCCOCCCCCCN=[N+]=[N-]

Appearance: To be determined

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 756.02 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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