MedKoo Cat#: 121185 | Name: JQN00639

Description:

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

JQN00639, also known as (S,R,S)-AHPC-methylamino-PEG1-NH2 hydrochloride, is a ProTAC building block. This conjugate contains a von Hippel-Lindau (VHL)-recruiting ligand, a linker, and a pendant amine for reactivity with a carboxylic acid on the target ligand. When used with other protein degrader building blocks with a terminal amine, 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

JQN00639
JQN00639
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 121185

Name: JQN00639

CAS#: Unknown

Chemical Formula: C30H47ClN6O5S

Exact Mass: 638.3017

Molecular Weight: 639.25

Elemental Analysis: C, 56.37; H, 7.41; Cl, 5.55; N, 13.15; O, 12.51; S, 5.02

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
(S,R,S)-AHPC-methylamino-PEG1-NH2 hydrochloride
IUPAC/Chemical Name
(2S,4R)-1-((S)-2-(3-((2-(2-Aminoethoxy)ethyl)(methyl)amino)propanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
InChi Key
JICQDOJNFSTBPL-QVRKWNSCSA-N
InChi Code
InChI=1S/C30H46N6O5S.ClH/c1-20-26(42-19-33-20)22-8-6-21(7-9-22)17-32-28(39)24-16-23(37)18-36(24)29(40)27(30(2,3)4)34-25(38)10-12-35(5)13-15-41-14-11-31;/h6-9,19,23-24,27,37H,10-18,31H2,1-5H3,(H,32,39)(H,34,38);1H/t23-,24+,27-;/m1./s1
SMILES Code
CC(N=CS1)=C1C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@@H](NC(CCN(C)CCOCCN)=O)C(C)(C)C)=O)=O)C=C2.Cl
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

Preparing Stock Solutions

The following data is based on the product molecular weight 639.25 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