MedKoo Cat#: 121224 | Name: KJN00751
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Description:

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

KJN00751, also known as (S,R,S)-AHPC-piperazine-pyridine-alkyne-NH2 hydrochloride, is a ProTAC building block. This conjugate contains a von Hippel-Lindau (VHL)-recruiting ligand, a rigid 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 pendant 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

KJN00751
KJN00751
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 121224

Name: KJN00751

CAS#: Unknown

Chemical Formula: C38H51ClN8O4S

Exact Mass: 750.3443

Molecular Weight: 751.39

Elemental Analysis: C, 60.74; H, 6.84; Cl, 4.72; N, 14.91; O, 8.52; S, 4.27

Price and Availability

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50mg USD 1,150.00 Back order
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Related CAS #
No Data
Synonym
(S,R,S)-AHPC-piperazine-pyridine-alkyne-NH2 hydrochloride
IUPAC/Chemical Name
(2S,4R)-1-((S)-2-(4-(4-(5-(3-Aminoprop-1-yn-1-yl)pyridin-2-yl)piperazin-1-yl)butanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide hydrochloride
InChi Key
KKQIIRSKIVMTFT-JNOFBCBOSA-N
InChi Code
InChI=1S/C38H50N8O4S.ClH/c1-26-34(51-25-42-26)29-12-9-28(10-13-29)23-41-36(49)31-21-30(47)24-46(31)37(50)35(38(2,3)4)43-33(48)8-6-16-44-17-19-45(20-18-44)32-14-11-27(22-40-32)7-5-15-39;/h9-14,22,25,30-31,35,47H,6,8,15-21,23-24,39H2,1-4H3,(H,41,49)(H,43,48);1H/t30-,31+,35-;/m1./s1
SMILES Code
CC(N=CS1)=C1C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@@H](NC(CCCN(CC4)CCN4C5=CC=C(C#CCN)C=N5)=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 751.39 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