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MedKoo Cat#: 125718 | Name: JPS036

Description:

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

JPS036 is a HDAC degrader. JPS036 degrades HDAC3 withs electivity over HDAC1 and HDAC2

Chemical Structure

JPS036
JPS036
CAS#2669785-85-5

Theoretical Analysis

MedKoo Cat#: 125718

Name: JPS036

CAS#: 2669785-85-5

Chemical Formula: C51H66FN7O7S

Exact Mass: 939.4700

Molecular Weight: 940.19

Elemental Analysis: C, 65.15; H, 7.08; F, 2.02; N, 10.43; O, 11.91; S, 3.41

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
JPS036; JPS-036; JPS 036
IUPAC/Chemical Name
N-(2-((12-((4-((2-aminophenyl)carbamoyl)phenyl)amino)-12-oxododecyl)oxy)-4-(4-methylthiazol-5-yl)benzyl)-1-(2-(1-fluorocyclopropane-1-carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
InChi Key
NAADBQUVFJWCFU-UHFFFAOYSA-N
InChi Code
InChI=1S/C51H66FN7O7S/c1-33-44(67-32-55-33)35-19-20-36(30-54-47(63)41-29-38(60)31-59(41)48(64)45(50(2,3)4)58-49(65)51(52)25-26-51)42(28-35)66-27-15-11-9-7-5-6-8-10-12-18-43(61)56-37-23-21-34(22-24-37)46(62)57-40-17-14-13-16-39(40)53/h13-14,16-17,19-24,28,32,38,41,45,60H,5-12,15,18,25-27,29-31,53H2,1-4H3,(H,54,63)(H,56,61)(H,57,62)(H,58,65)
SMILES Code
CC1=C(C2=CC(OCCCCCCCCCCCC(NC3=CC=C(C(NC4=CC=CC=C4N)=O)C=C3)=O)=C(CNC(C5CC(O)CN5C(C(NC(C6(F)CC6)=O)C(C)(C)C)=O)=O)C=C2)SC=N1
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 940.19 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
MDM2 Antagonist Idasanutlin Reduces HDAC1/2 Abundance and Corepressor Partners but Not HDAC3 Joshua P. Smalley, Shaun M. Cowley, and James T. Hodgkinson ACS Medicinal Chemistry Letters Article ASAP DOI: 10.1021/acsmedchemlett.3c00449